REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-MAY-08 3D37 COMPND TAIL PROTEIN, 43 KDA; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS MC58; SOURCE 3 ORGANISM_TAXID: 122586; SOURCE 4 STRAIN: MC58 / SEROGROUP B; SOURCE 5 GENE: GI:7226348, NMB1110; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR R.ZHANG,H.LI,M.BARGASSA,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET CL A 382 1 HET CL A 383 1 HET CL A 384 1 HET CL B 382 1 HET CL B 383 1 HET CL B 384 1 SSBOND 1 CYS A 190 CYS A 198 1555 1555 2.09 SSBOND 2 CYS B 190 CYS B 198 1555 1555 2.08 SITE 1 AC1 2 ARG B 20 GLY B 65 SITE 1 AC2 4 ASP B 30 ILE B 33 PRO B 34 ASP B 36 SITE 1 AC3 4 ASP A 30 ILE A 33 PRO A 34 ASP A 36 SITE 1 AC4 1 ARG A 290 >TYR.A 6 -7.05 53.27 108.32 -4.25 53.35 108.15 -5.65 53.31 108.23 3 0 20.79 -999 ? CL CL A 384 >GLY.A 7 -12.90 54.74 109.89 -12.31 54.99 110.52 -12.60 54.87 110.21 1 0 16.09 -999 ? CL CL A 384 >TYR.A 8 -16.53 57.80 111.57 -17.14 59.34 109.36 -16.84 58.57 110.46 3 0 12.26 -999 ? CL CL A 384 >ALA.A 9 -13.87 55.96 116.46 -12.58 56.43 117.23 -13.23 56.20 116.85 2 0 20.02 -999 ? CL CL A 384 >VAL^A 10 -17.33 55.92 118.06 -19.16 55.97 116.87 -18.24 55.94 117.46 3 0 19.01 -999 ? CL CL A 384 >SER^A 11 -17.58 55.42 121.82 -16.10 56.98 122.78 -16.84 56.20 122.30 2 0 21.10 -999 ? CL CL A 382 >VAL^A 12 -19.98 55.50 124.75 -21.91 54.50 124.99 -20.94 55.00 124.87 3 0 18.58 -999 ? CL CL A 382 >ARG^A 13 -15.61 60.27 127.72 -14.54 62.09 125.47 -15.07 61.18 126.60 2 0 21.22 -999 ? CL CL A 382 >VAL^A 14 -19.01 56.20 130.97 -20.69 54.82 131.33 -19.85 55.51 131.15 3 0 21.39 -999 ? CL CL A 382 >GLY.A 15 -16.89 56.94 134.05 -16.70 56.94 133.22 -16.79 56.94 133.64 1 0 24.36 -999 ? CL CL A 382 >GLY.A 16 -13.92 58.16 131.98 -14.38 57.51 131.82 -14.15 57.84 131.90 1 0 25.17 -999 ? CL CL A 382 >LYS^A 17 -13.97 54.79 130.31 -12.29 50.22 133.16 -13.13 52.50 131.74 2 0 30.54 -999 ? CL CL A 382 >GLU^A 18 -12.62 56.10 125.83 -13.81 57.82 125.60 -13.22 56.96 125.72 2 0 23.23 -999 ? CL CL A 382 >HIS^A 19 -17.70 51.01 127.32 -17.43 50.94 129.40 -17.57 50.97 128.36 3 0 24.55 -999 ? CL CL A 382 >ARG.A 20 -13.35 53.68 120.82 -11.33 55.30 122.50 -12.34 54.49 121.66 2 0 25.24 -999 ? CL CL A 384 >HIS.A 21 -13.56 47.86 119.72 -11.56 48.42 120.07 -12.56 48.14 119.89 3 0 26.92 -999 ? CL CL A 384 >TRP.A 22 -19.46 51.46 119.47 -20.97 49.97 122.75 -20.21 50.72 121.11 3 0 21.63 -999 ? CL CL A 382 >GLU.A 23 -22.84 44.28 116.17 -23.55 42.53 115.22 -23.20 43.40 115.69 2 0 27.24 -999 ? CL CL A 382 >ARG^A 24 -27.53 46.21 115.11 -27.47 43.33 116.18 -27.50 44.77 115.65 2 0 24.95 -999 ? CL CL A 382 >TYR^A 25 -23.49 53.13 116.11 -21.60 54.30 114.36 -22.54 53.72 115.23 3 0 18.63 -999 ? CL CL A 382 >ASP^A 26 -29.69 53.68 115.80 -29.91 52.24 114.24 -29.80 52.96 115.02 2 0 16.59 -999 ? CL CL A 382 >ILE^A 27 -26.41 58.28 117.29 -25.12 58.50 117.82 -25.76 58.39 117.56 3 0 12.62 -999 ? CL CL A 382 >ASP^A 28 -32.19 59.08 116.32 -33.48 59.98 114.85 -32.84 59.53 115.58 2 0 9.02 -999 ? CL CL A 382 >SER^A 29 -31.31 63.66 116.96 -29.07 63.86 117.79 -30.19 63.76 117.37 2 0 6.92 -999 ? CL CL A 382 >ASP^A 30 -35.52 64.63 115.87 -36.96 65.19 114.43 -36.24 64.91 115.15 2 0 -6.81 -999 ? CL CL A 382s >PHE.A 31 -34.44 71.03 115.62 -32.10 72.45 115.10 -33.27 71.74 115.36 3 0 7.34 -999 ? CL CL A 382 >LEU.A 32 -40.23 67.84 115.98 -40.82 69.61 114.75 -40.52 68.73 115.37 3 0 8.11 -999 ? CL CL A 382 >ILE.A 33 -38.34 63.27 118.42 -38.42 61.96 117.91 -38.38 62.62 118.16 3 0 -6.13 -999 ? CL CL A 382s >PRO.A 34 -40.54 65.44 122.97 -38.47 65.48 122.03 -39.50 65.46 122.50 3 0 -5.22 -999 ? CL CL A 383s >ALA.A 35 -35.44 63.33 123.80 -35.72 62.35 124.94 -35.58 62.84 124.37 2 0 6.30 -999 ? CL CL A 382 >ASP.A 36 -31.47 63.24 120.93 -31.90 65.07 119.91 -31.68 64.15 120.42 2 0 -3.33 -999 ? CL CL A 382s >SER^A 37 -31.72 58.75 121.63 -33.32 57.82 120.12 -32.52 58.28 120.87 2 0 9.11 -999 ? CL CL A 382 >PHE^A 38 -27.57 56.58 123.18 -27.30 56.38 125.99 -27.43 56.48 124.58 3 0 13.21 -999 ? CL CL A 382 >ASP^A 39 -29.94 52.12 119.85 -30.97 50.72 120.81 -30.45 51.42 120.33 2 0 16.51 -999 ? CL CL A 382 >PHE^A 40 -23.96 52.42 120.97 -23.29 55.05 120.29 -23.62 53.74 120.63 3 0 17.10 -999 ? CL CL A 382 >VAL^A 41 -24.83 46.67 120.04 -26.42 45.37 119.30 -25.62 46.02 119.67 3 0 22.69 -999 ? CL CL A 382 >ILE^A 42 -20.32 45.11 120.76 -19.66 44.67 120.58 -19.99 44.89 120.67 3 0 26.37 -999 ? CL CL A 382 >GLY.A 43 -21.75 40.92 119.11 -20.99 41.17 119.03 -21.37 41.04 119.07 1 0 28.96 -999 ? CL CL A 382 >ARG.A 44 -16.06 41.78 118.55 -16.27 43.65 116.05 -16.16 42.71 117.30 2 0 27.19 -999 ? CL CL A 384 >PRO.A 52 -19.17 46.24 131.98 -20.49 44.89 133.25 -19.83 45.57 132.61 3 0 28.54 -999 ? CL CL A 382 >ASP.A 53 -25.09 46.58 135.54 -27.02 47.57 135.30 -26.06 47.07 135.42 2 0 25.38 -999 ? CL CL A 382 >LEU.A 54 -23.28 50.81 131.65 -21.20 50.50 131.11 -22.24 50.66 131.38 3 0 23.03 -999 ? CL CL A 382 >SER.A 55 -27.78 51.03 133.17 -28.81 49.24 134.52 -28.30 50.14 133.85 2 0 23.04 -999 ? CL CL A 383 >GLY.A 56 -28.63 54.28 134.84 -27.95 54.18 134.45 -28.29 54.23 134.64 1 0 19.88 -999 ? CL CL A 382 >GLU.A 57 -23.46 53.73 134.86 -22.94 54.54 136.68 -23.20 54.14 135.77 2 0 23.36 -999 ? CL CL A 382 >SER^A 58 -24.38 59.07 132.81 -24.91 60.78 134.35 -24.64 59.93 133.58 2 0 17.88 -999 ? CL CL A 382 >CYH^A 59 -22.72 58.93 129.41 -24.70 57.69 127.81 -23.71 58.31 128.61 2 0 15.29 -999 ? CL CL A 382 >GLU^A 60 -20.60 62.82 127.64 -18.87 63.84 128.41 -19.74 63.33 128.03 2 0 17.84 -999 ? CL CL A 382 >VAL^A 61 -21.58 59.57 122.87 -23.27 58.66 121.81 -22.43 59.11 122.34 3 0 14.54 -999 ? CL CL A 382 >VAL^A 62 -18.34 60.50 121.09 -16.79 61.16 122.57 -17.57 60.83 121.83 3 0 18.14 -999 ? CL CL A 382 >ILE^A 63 -18.39 60.64 116.31 -19.32 60.16 115.23 -18.86 60.40 115.77 3 0 15.34 -999 ? CL CL A 384 >ASP.A 64 -13.50 61.63 115.26 -13.45 60.20 113.75 -13.48 60.92 114.51 2 0 15.21 -999 ? CL CL A 384 >GLY.A 65 -13.27 62.71 120.05 -13.88 62.83 119.56 -13.57 62.77 119.81 1 0 20.01 -999 ? CL CL A 384 >GLN^A 66 -17.45 66.76 118.28 -17.51 68.00 116.53 -17.48 67.38 117.41 2 0 15.17 -999 ? CL CL A 384 >ILE^A 67 -19.30 65.26 123.24 -19.32 65.34 124.60 -19.31 65.30 123.92 3 0 15.76 -999 ? CL CL A 382 >VAL^A 68 -22.41 64.28 119.84 -21.83 62.71 118.29 -22.12 63.50 119.07 3 0 13.05 -999 ? CL CL A 382 >MET^A 69 -24.82 63.57 122.75 -28.23 61.02 122.16 -26.53 62.30 122.46 2 0 8.78 -999 ? CL CL A 382 >THR^A 70 -24.90 63.77 126.54 -23.76 65.38 127.58 -24.33 64.58 127.06 2 0 13.00 -999 ? CL CL A 382 >GLY^A 71 -27.35 61.47 128.32 -26.64 61.26 128.60 -27.00 61.37 128.46 1 0 11.87 -999 ? CL CL A 382 >ILE^A 72 -29.28 58.85 131.60 -29.39 59.57 132.10 -29.34 59.21 131.85 3 0 14.56 -999 ? CL CL A 382 >ILE^A 73 -26.94 53.83 129.99 -25.87 52.94 129.49 -26.41 53.39 129.74 3 0 18.20 -999 ? CL CL A 382 >GLY^A 74 -31.70 53.74 130.27 -31.13 53.19 130.05 -31.42 53.46 130.16 1 0 16.51 -999 ? CL CL A 382 >SER^A 75 -31.35 50.08 129.54 -32.67 49.67 127.52 -32.01 49.88 128.53 2 0 18.58 -999 ? CL CL A 382 >GLN^A 76 -26.57 46.46 129.57 -24.86 46.70 130.88 -25.72 46.58 130.22 2 0 24.61 -999 ? CL CL A 382 >ARG^A 77 -32.32 44.63 125.30 -31.80 47.66 125.44 -32.06 46.15 125.37 2 0 19.95 -999 ? CL CL A 382 >HIS^A 78 -24.82 39.60 128.09 -23.39 38.20 127.48 -24.10 38.90 127.78 3 0 30.68 -999 ? CL CL A 382 >GLY^A 79 -27.87 37.84 125.30 -27.04 37.99 125.33 -27.45 37.91 125.31 1 0 30.12 -999 ? CL CL A 382 >LYS^A 80 -26.02 34.53 124.81 -22.64 33.14 129.86 -24.33 33.84 127.34 2 0 36.93 -999 ? CL CL A 382 >SER^A 81 -26.74 31.43 122.78 -27.41 32.21 120.58 -27.07 31.82 121.68 2 0 35.35 -999 ? CL CL A 382 >LYS.A 82 -24.27 28.84 121.34 -24.33 26.99 125.88 -24.30 27.92 123.61 2 0 41.47 -999 ? CL CL A 382 >GLY.A 83 -22.47 30.86 118.70 -22.68 31.20 119.32 -22.58 31.03 119.01 1 0 38.01 -999 ? CL CL A 382 >SER^A 84 -23.40 34.46 119.76 -25.32 33.97 118.30 -24.36 34.21 119.03 2 0 34.22 -999 ? CL CL A 382 >ARG^A 85 -20.06 35.34 124.61 -20.05 37.26 127.03 -20.06 36.30 125.82 2 0 33.58 -999 ? CL CL A 382 >GLU^A 86 -25.92 41.43 120.29 -26.81 40.98 118.43 -26.37 41.20 119.36 2 0 27.08 -999 ? CL CL A 382 >LEU^A 87 -23.18 43.60 125.38 -22.79 45.16 126.94 -22.98 44.38 126.16 3 0 25.88 -999 ? CL CL A 382 >SER^A 88 -26.75 46.25 123.96 -28.99 45.42 123.71 -27.87 45.83 123.83 2 0 22.34 -999 ? CL CL A 382 >LEU^A 89 -25.95 50.50 125.76 -24.34 50.00 127.08 -25.14 50.25 126.42 3 0 19.96 -999 ? CL CL A 382 >SER^A 90 -29.94 52.31 124.96 -31.33 50.74 123.89 -30.63 51.53 124.42 2 0 16.73 -999 ? CL CL A 382 >GLY^A 91 -30.66 55.67 126.28 -30.79 55.70 125.50 -30.73 55.69 125.89 1 0 13.11 -999 ? CL CL A 382 >ARG^A 92 -35.59 58.66 126.41 -36.79 59.05 129.24 -36.19 58.86 127.82 2 0 9.37 -999 ? CL CL A 383 >ASP^A 93 -30.23 63.77 124.99 -32.09 64.66 124.54 -31.16 64.21 124.76 2 0 5.15 -999 ? CL CL A 382 >LEU~A 94 -29.91 65.97 129.72 -27.91 65.68 130.54 -28.91 65.83 130.13 3 0 11.15 -999 ? CL CL A 382 >ALA~A 95 -34.32 65.97 127.91 -34.72 66.23 126.45 -34.52 66.10 127.18 2 0 5.86 -999 ? CL CL A 382 >GLY~A 96 -35.37 62.51 129.12 -35.27 63.21 129.50 -35.32 62.86 129.31 1 0 8.65 -999 ? CL CL A 383 >PHE~A 97 -33.26 63.92 133.83 -31.10 62.40 134.75 -32.18 63.16 134.29 3 0 13.64 -999 ? CL CL A 383 >LEU~A 98 -37.29 68.02 130.67 -35.86 69.32 131.72 -36.58 68.67 131.20 3 0 8.71 -999 ? CL CL A 383 >VAL~A 99 -39.96 64.49 129.43 -39.81 63.46 127.47 -39.88 63.97 128.45 3 0 4.06 -999 ? CL CL A 383 >ASP~A 100 -39.25 61.23 132.92 -38.42 59.82 131.54 -38.83 60.53 132.23 2 0 8.92 -999 ? CL CL A 383 >CYH~A 101 -40.55 64.55 135.33 -37.87 63.85 136.08 -39.21 64.20 135.71 2 0 11.13 -999 ? CL CL A 383 >SER.A 102 -43.16 67.12 136.34 -45.34 66.31 136.69 -44.25 66.72 136.52 2 0 10.64 -999 ? CL CL A 383 >ALA.A 103 -43.22 70.84 135.69 -44.02 71.58 134.57 -43.62 71.21 135.13 2 0 10.33 -999 ? CL CL A 383 >PRO.A 104 -41.13 73.46 138.54 -43.27 72.71 138.20 -42.20 73.09 138.37 3 0 14.29 -999 ? CL CL A 383 >GLN.A 105 -48.66 74.56 138.50 -49.02 75.36 136.52 -48.84 74.96 137.51 2 0 15.43 -999 ? CL CL A 383 >LEU.A 106 -42.89 78.30 136.95 -41.13 79.50 136.43 -42.01 78.90 136.69 3 0 17.03 -999 ? CL CL A 383 >ASN.A 107 -46.65 82.65 137.36 -47.85 84.12 136.41 -47.25 83.38 136.88 2 0 21.78 -999 ? CL CL A 383 >VAL.A 108 -43.69 83.14 133.54 -43.03 82.14 131.65 -43.36 82.64 132.60 3 0 18.33 -999 ? CL CL A 383 >LYS.A 109 -45.10 86.58 132.81 -50.69 86.17 134.93 -47.90 86.38 133.87 2 0 23.73 -999 ? CL CL A 383 >GLY.A 110 -42.92 88.53 131.83 -42.63 88.59 132.69 -42.78 88.56 132.26 1 0 23.75 -999 ? CL CL A 383 >MET.A 111 -39.92 86.67 132.82 -40.17 83.32 135.38 -40.04 85.00 134.10 2 0 20.26 -999 ? CL CL A 383 >THR~A 112 -37.74 86.52 129.74 -35.78 87.41 129.47 -36.76 86.96 129.60 2 0 22.44 -999 ? CL CL A 382 >VAL~A 113 -37.94 83.19 127.80 -37.99 82.37 125.71 -37.96 82.78 126.76 3 0 17.42 -999 ? CL CL A 382 >LEU~A 114 -33.06 83.37 128.45 -30.99 82.55 128.34 -32.03 82.96 128.39 3 0 18.11 -999 ? CL CL A 382 >ASP~A 115 -35.38 84.29 133.21 -33.68 85.51 133.25 -34.53 84.90 133.23 2 0 22.59 -999 ? CL CL A 382 >ALA~A 116 -38.30 80.83 132.45 -39.59 81.12 131.73 -38.94 80.98 132.09 2 0 16.96 -999 ? CL CL A 383 >ALA~A 117 -36.16 78.08 130.71 -35.47 78.16 129.32 -35.81 78.12 130.02 2 0 14.32 -999 ? CL CL A 382 >LYS~A 118 -33.32 78.46 133.27 -29.10 83.17 132.15 -31.21 80.82 132.71 2 0 20.77 -999 ? CL CL A 382 >LYS~A 119 -35.93 78.09 135.99 -38.76 78.15 140.81 -37.35 78.12 138.40 2 0 19.74 -999 ? CL CL A 383 >LEU~A 120 -38.37 74.84 133.38 -40.40 75.42 132.92 -39.39 75.13 133.15 3 0 12.41 -999 ? CL CL A 383 >ALA~A 121 -34.13 73.19 134.02 -33.25 73.56 132.86 -33.69 73.38 133.44 2 0 14.04 -999 ? CL CL A 382 >ALA~A 122 -32.76 74.26 137.48 -33.39 75.39 138.40 -33.07 74.82 137.94 2 0 18.38 -999 ? CL CL A 383 >PRO.A 123 -35.88 71.51 138.98 -33.62 71.55 138.91 -34.75 71.53 138.94 3 0 16.27 -999 ? CL CL A 383 >TRP.A 124 -33.14 66.39 136.47 -36.57 68.26 136.24 -34.86 67.33 136.36 3 0 13.06 -999 ? CL CL A 383 >PRO.A 125 -27.98 69.31 139.54 -28.50 70.10 137.51 -28.24 69.71 138.52 3 0 19.23 -999 ? CL CL A 382 >GLN.A 126 -28.99 66.17 135.51 -29.51 65.46 137.54 -29.25 65.81 136.52 2 0 17.56 -999 ? CL CL A 383 >ILE.A 127 -29.56 70.74 132.12 -30.74 70.69 131.38 -30.15 70.72 131.75 3 0 12.62 -999 ? CL CL A 382 >LYS.A 128 -25.12 72.76 133.10 -20.68 68.32 134.09 -22.90 70.54 133.60 2 0 19.46 -999 ? CL CL A 382 >ALA.A 129 -26.10 75.72 130.84 -24.98 76.19 129.93 -25.54 75.95 130.39 2 0 16.38 -999 ? CL CL A 382 >VAL^A 130 -29.26 77.18 129.34 -31.17 76.86 130.30 -30.22 77.02 129.82 3 0 14.44 -999 ? CL CL A 382 >VAL^A 131 -28.79 79.30 126.21 -26.88 79.17 125.05 -27.84 79.23 125.63 3 0 15.03 -999 ? CL CL A 382 >LEU^A 132 -31.75 82.67 124.41 -33.64 83.76 123.92 -32.70 83.22 124.16 3 0 16.90 -999 ? CL CL A 382 >LYS^A 133 -30.69 80.61 120.28 -26.75 77.00 119.43 -28.72 78.81 119.85 2 0 12.95 -999 ? CL CL A 382 >ALA.A 134 -32.59 83.69 119.08 -33.95 83.53 119.76 -33.27 83.61 119.42 2 0 16.76 -999 ? CL CL A 382 >GLU.A 135 -31.98 87.75 115.72 -30.11 88.72 115.32 -31.05 88.24 115.52 2 0 22.99 -999 ? CL CL A 382 >ASN.A 136 -35.51 89.43 120.39 -34.74 90.84 118.94 -35.12 90.13 119.67 2 0 24.08 -999 ? CL CL A 382 >ASN.A 137 -34.02 87.53 125.36 -34.12 86.44 127.15 -34.07 86.99 126.26 2 0 20.69 -999 ? CL CL A 382 >PRO.A 138 -39.34 86.24 123.61 -38.27 87.87 124.66 -38.81 87.06 124.13 3 0 20.97 -999 ? CL CL A 382 >ALA.A 139 -40.71 88.88 128.05 -41.16 90.27 128.57 -40.94 89.57 128.31 2 0 25.02 -999 ? CL CL A 383 >LEU.A 140 -43.10 84.80 128.94 -41.55 83.58 127.89 -42.32 84.19 128.41 3 0 18.91 -999 ? CL CL A 383 >GLY.A 141 -47.00 86.61 128.15 -46.60 85.98 128.53 -46.80 86.30 128.34 1 0 21.64 -999 ? CL CL A 383 >LYS.A 142 -49.53 84.63 130.17 -55.13 85.19 133.14 -52.33 84.91 131.66 2 0 24.15 -999 ? CL CL A 383 >ILE.A 143 -47.41 80.41 129.46 -47.44 79.92 127.98 -47.43 80.16 128.72 3 0 15.57 -999 ? CL CL A 383 >ASP.A 144 -52.89 78.90 131.37 -53.77 80.20 132.79 -53.33 79.55 132.08 2 0 19.38 -999 ? CL CL A 383 >ILE.A 145 -48.41 74.97 132.30 -47.01 75.42 132.28 -47.71 75.20 132.29 3 0 12.37 -999 ? CL CL A 383 >GLU.A 146 -52.58 70.92 131.34 -54.15 69.93 130.28 -53.37 70.42 130.81 2 0 12.63 -999 ? CL CL A 383 >PRO.A 147 -52.59 71.02 137.60 -50.92 70.62 136.11 -51.76 70.82 136.85 3 0 14.68 -999 ? CL CL A 383 >GLY.A 148 -49.51 66.91 135.22 -49.43 67.62 134.85 -49.47 67.27 135.04 1 0 11.08 -999 ? CL CL A 383 >GLU.A 149 -48.79 70.20 130.85 -48.75 71.87 129.52 -48.77 71.03 130.18 2 0 9.19 -999 ? CL CL A 383 >THR~A 150 -43.99 67.57 132.08 -44.02 66.23 130.30 -44.01 66.90 131.19 2 0 4.16 -999 ? CL CL A 383 >VAL~A 151 -41.13 70.00 132.25 -39.41 70.19 133.61 -40.27 70.10 132.93 3 0 8.54 -999 ? CL CL A 383 >TRP~A 152 -40.45 68.27 125.25 -36.75 69.50 125.42 -38.60 68.88 125.34 3 0 5.72 -999 ? CL CL A 383 >GLN~A 153 -45.94 68.13 127.54 -47.43 66.98 128.54 -46.68 67.55 128.04 2 0 5.15 -999 ? CL CL A 383 >ALA~A 154 -44.22 73.23 129.68 -43.96 73.28 131.23 -44.09 73.25 130.45 2 0 9.30 -999 ? CL CL A 383 >LEU~A 155 -39.73 73.43 128.18 -37.80 74.02 128.70 -38.76 73.72 128.44 3 0 9.58 -999 ? CL CL A 383 >THR~A 156 -42.43 73.65 124.57 -42.66 71.81 123.41 -42.54 72.73 123.99 2 0 7.05 -999 ? CL CL A 383 >HIS~A 157 -47.82 75.77 126.56 -49.90 76.10 126.41 -48.86 75.94 126.48 3 0 12.03 -999 ? CL CL A 383 >ILE~A 158 -42.58 78.50 127.97 -42.15 78.67 129.23 -42.36 78.58 128.60 3 0 13.38 -999 ? CL CL A 383 >ALA~A 159 -40.97 78.44 123.91 -40.05 77.14 123.62 -40.51 77.79 123.76 2 0 12.04 -999 ? CL CL A 382 >ASN~A 160 -44.47 76.84 121.01 -43.38 75.08 120.31 -43.93 75.96 120.66 2 0 11.40 -999 ? CL CL A 383 >SER~A 161 -45.55 81.13 122.60 -44.57 82.20 124.58 -45.06 81.66 123.59 2 0 16.95 -999 ? CL CL A 383 >VAL~A 162 -42.67 83.28 121.41 -41.61 83.75 123.27 -42.14 83.51 122.34 3 0 18.39 -999 ? CL CL A 382 >GLY.A 163 -42.13 81.34 118.16 -41.70 81.26 118.87 -41.92 81.30 118.51 1 0 16.53 -999 ? CL CL A 382 >LEU.A 164 -38.43 80.00 120.74 -37.29 81.90 120.38 -37.86 80.95 120.56 3 0 14.50 -999 ? CL CL A 382 >HIS^A 165 -39.19 73.43 119.40 -40.10 71.56 119.72 -39.65 72.49 119.56 3 0 7.64 -999 ? CL CL A 382 >PRO^A 166 -38.48 72.81 123.93 -37.07 74.02 122.70 -37.78 73.41 123.32 3 0 7.79 -999 ? CL CL A 382 >TRP^A 167 -31.10 71.99 120.30 -32.79 75.13 118.77 -31.95 73.56 119.54 3 0 7.35 -999 ? CL CL A 382 >LEU^A 168 -30.53 68.45 124.73 -31.34 69.14 126.59 -30.94 68.80 125.66 3 0 6.56 -999 ? CL CL A 382 >GLU.A 169 -27.31 72.85 122.01 -26.32 74.11 120.63 -26.82 73.48 121.32 2 0 11.07 -999 ? CL CL A 382 >PRO.A 170 -24.49 68.30 119.78 -25.06 68.27 121.93 -24.78 68.29 120.86 3 0 9.98 -999 ? CL CL A 382 >ASP.A 171 -21.72 70.05 125.28 -22.57 71.99 125.28 -22.14 71.02 125.28 2 0 13.95 -999 ? CL CL A 382 >GLY.A 172 -25.92 68.80 127.33 -25.78 69.49 126.95 -25.85 69.14 127.14 1 0 11.19 -999 ? CL CL A 382 >THR.A 173 -26.89 72.55 127.11 -25.69 74.31 126.61 -26.29 73.43 126.86 2 0 13.13 -999 ? CL CL A 382 >LEU^A 174 -31.51 73.25 128.15 -33.68 73.07 128.16 -32.60 73.16 128.15 3 0 10.06 -999 ? CL CL A 382 >VAL^A 175 -31.40 75.68 124.08 -30.23 76.03 122.31 -30.81 75.85 123.20 3 0 10.15 -999 ? CL CL A 382 >VAL^A 176 -34.64 77.63 123.58 -36.48 78.00 124.71 -35.56 77.81 124.15 3 0 11.59 -999 ? CL CL A 382 >GLY^A 177 -34.43 78.99 120.11 -35.00 78.45 120.07 -34.72 78.72 120.09 1 0 12.19 -999 ? CL CL A 382 >GLY.A 178 -35.00 78.54 116.42 -34.19 78.65 116.55 -34.59 78.59 116.48 1 0 12.46 -999 ? CL CL A 382 >ALA.A 179 -33.44 78.17 113.04 -34.16 77.56 111.82 -33.80 77.86 112.43 2 0 13.90 -999 ? CL CL A 382 >ASP.A 180 -29.53 80.77 112.24 -28.62 82.54 111.55 -29.07 81.65 111.89 2 0 19.13 -999 ? CL CL A 382 >TYR.A 181 -33.79 79.99 107.82 -35.55 78.08 108.89 -34.67 79.04 108.36 3 0 17.32 -999 ? CL CL A 382 >SER.A 182 -28.54 83.33 107.44 -27.66 84.16 109.62 -28.10 83.74 108.53 2 0 20.74 -999 ? CL CL A 384 >SER.A 183 -26.00 80.50 107.95 -26.08 80.05 110.33 -26.04 80.28 109.14 2 0 17.10 -999 ? CL CL A 384 >PRO.A 184 -22.97 81.07 104.86 -24.75 79.70 105.17 -23.86 80.39 105.02 3 0 14.78 -999 ? CL CL A 384 >PRO.A 185 -26.62 76.68 101.67 -25.37 76.51 103.53 -25.99 76.60 102.60 3 0 11.65 -999 ? CL CL A 384 >VAL.A 186 -22.66 73.50 104.90 -23.31 72.69 106.78 -22.99 73.10 105.84 3 0 8.27 -999 ? CL CL A 384 >ALA^A 187 -22.66 71.07 102.05 -22.76 69.71 102.75 -22.71 70.39 102.40 2 0 4.18 -999 ? CL CL A 384 >THR^A 188 -23.96 70.36 98.57 -23.94 71.57 96.84 -23.95 70.96 97.71 2 0 7.94 -999 ? CL CL A 384 >LEU^A 189 -25.99 66.17 99.20 -25.24 65.59 101.14 -25.62 65.88 100.17 3 0 5.43 -999 ? CL CL A 384 >CSS^A 190 -26.13 65.46 94.70 -23.68 65.58 93.14 -24.91 65.52 93.92 2 0 9.22 -999 ? CL CL A 384 >TRP^A 191 -30.01 60.84 91.30 -29.83 57.58 93.47 -29.92 59.21 92.39 3 0 15.13 -999 ? CL CL A 384 >SER.A 192 -26.48 60.82 89.96 -25.15 61.33 88.02 -25.81 61.08 88.99 2 0 15.36 -999 ? CL CL A 384 >ARG.A 193 -30.19 56.43 87.97 -31.59 55.92 85.25 -30.89 56.18 86.61 2 0 15.01 -999 ? CL CL B 382 >THR.A 194 -23.53 58.32 86.21 -24.61 58.92 84.44 -24.07 58.62 85.33 2 0 13.30 -999 ? CL CL B 382 >ASP.A 195 -22.13 62.52 88.27 -20.53 63.80 88.70 -21.33 63.16 88.48 2 0 13.29 -999 ? CL CL A 384 >SER.A 196 -19.39 59.32 90.69 -17.16 59.45 89.72 -18.27 59.38 90.21 2 0 14.25 -999 ? CL CL A 384 >ARG.A 197 -16.42 65.00 90.05 -16.47 67.55 88.20 -16.44 66.27 89.12 2 0 14.16 -999 ? CL CL A 384 >CSS.A 198 -22.42 62.42 93.51 -23.79 64.04 91.73 -23.11 63.23 92.62 2 0 10.81 -999 ? CL CL A 384 >ASN.A 199 -21.75 61.84 97.70 -22.73 63.77 98.21 -22.24 62.80 97.96 2 0 4.96 -999 ? CL CL A 384 >ILE.A 200 -27.51 61.27 97.30 -28.55 62.17 97.37 -28.03 61.72 97.33 3 0 9.95 -999 ? CL CL A 384 >GLU.A 201 -24.87 56.03 99.70 -24.21 54.93 101.40 -24.54 55.48 100.55 2 0 12.07 -999 ? CL CL A 384 >ARG^A 202 -32.39 54.22 100.96 -34.65 53.06 99.24 -33.52 53.64 100.10 2 0 19.65 -999 ? CL CL A 384 >MET^A 203 -33.24 59.65 98.34 -32.93 63.06 96.02 -33.08 61.36 97.18 2 0 14.13 -999 ? CL CL A 384 >ASP^A 204 -37.06 58.40 100.88 -36.30 56.45 100.53 -36.68 57.43 100.70 2 0 18.76 -999 ? CL CL A 384 >ILE^A 205 -39.43 62.92 97.96 -38.96 64.22 97.37 -39.19 63.57 97.66 3 0 19.40 -999 ? CL CL A 384 >GLU^A 206 -42.05 60.33 102.60 -42.22 59.82 104.62 -42.14 60.08 103.61 2 0 19.04 -999 ? CL CL A 382 >TRP^A 207 -44.76 66.72 97.91 -42.73 64.04 95.92 -43.75 65.38 96.92 3 0 23.82 -999 ? CL CL A 384 >ASP.A 208 -48.25 63.81 104.00 -49.74 63.21 105.24 -49.00 63.51 104.62 2 0 21.85 -999 ? CL CL A 382 >THR.A 209 -51.92 66.37 102.43 -52.53 65.83 100.42 -52.23 66.10 101.43 2 0 27.00 -999 ? CL CL A 382 >ASP.A 210 -52.58 64.68 106.89 -53.21 62.78 107.37 -52.90 63.73 107.13 2 0 21.69 -999 ? CL CL A 383 >ASN.A 211 -52.26 68.83 108.54 -52.87 67.63 110.20 -52.56 68.23 109.37 2 0 19.04 -999 ? CL CL A 383 >ARG.A 212 -52.31 71.44 100.68 -54.00 71.15 98.10 -53.16 71.30 99.39 2 0 30.01 -999 ? CL CL A 382 >PHE.A 213 -56.84 71.96 107.29 -56.22 69.93 109.07 -56.53 70.95 108.18 3 0 23.30 -999 ? CL CL A 383 >SER.A 214 -59.02 74.87 102.57 -61.42 74.47 102.83 -60.22 74.67 102.70 2 0 31.20 -999 ? CL CL A 383 >GLU^A 215 -61.95 78.59 103.72 -63.72 79.79 103.76 -62.84 79.19 103.74 2 0 33.84 -999 ? CL CL A 383 >VAL^A 216 -59.01 77.46 108.79 -57.33 76.25 109.48 -58.17 76.85 109.13 3 0 25.62 -999 ? CL CL A 383 >THR^A 217 -60.85 79.57 111.25 -62.93 79.16 110.68 -61.89 79.36 110.96 2 0 28.81 -999 ? CL CL A 383 >PHE^A 218 -56.44 80.06 113.38 -54.74 78.38 111.89 -55.59 79.22 112.64 3 0 23.16 -999 ? CL CL A 383 >LEU^A 219 -61.95 80.75 117.82 -63.73 80.50 116.62 -62.84 80.62 117.22 3 0 26.59 -999 ? CL CL A 383 >ALA^A 220 -59.62 83.10 120.76 -58.13 83.57 120.73 -58.88 83.34 120.75 2 0 24.28 -999 ? CL CL A 383 >SER.A 222 -59.78 88.32 124.78 -60.21 90.11 123.17 -59.99 89.21 123.97 2 0 30.25 -999 ? CL CL A 383 >HIS.A 223 -56.62 90.70 129.56 -55.95 91.22 131.48 -56.28 90.96 130.52 3 0 29.08 -999 ? CL CL A 383 >GLY.A 224 -61.49 91.50 128.60 -61.32 91.54 127.81 -61.40 91.52 128.21 1 0 32.04 -999 ? CL CL A 383 >HIS.A 232 -64.09 81.45 120.95 -63.65 79.66 121.95 -63.87 80.55 121.45 3 0 26.22 -999 ? CL CL A 383 >ASP.A 233 -64.45 88.75 121.31 -62.88 88.68 122.75 -63.66 88.71 122.03 2 0 30.79 -999 ? CL CL A 383 >LEU^A 234 -59.69 86.94 119.25 -58.94 88.37 120.70 -59.31 87.65 119.97 3 0 28.29 -999 ? CL CL A 383 >LYS^A 235 -61.15 85.56 115.05 -65.37 84.74 110.73 -63.26 85.15 112.89 2 0 33.41 -999 ? CL CL A 383 >TRP^A 236 -56.51 86.75 110.37 -54.08 83.80 109.52 -55.30 85.27 109.94 3 0 28.53 -999 ? CL CL A 383 >VAL^A 237 -59.42 83.09 109.08 -61.37 83.22 108.01 -60.39 83.16 108.55 3 0 30.55 -999 ? CL CL A 383 >TYR^A 238 -54.82 80.30 106.22 -53.19 79.11 104.29 -54.01 79.71 105.25 3 0 27.75 -999 ? CL CL A 383 >LYS^A 239 -57.66 80.60 103.08 -61.70 85.06 101.44 -59.68 82.83 102.26 2 0 36.81 -999 ? CL CL A 383 >ASP.A 240 -54.36 78.15 100.29 -55.09 76.20 100.68 -54.72 77.18 100.48 2 0 30.06 -999 ? CL CL A 382 >PRO.A 241 -56.78 82.34 97.52 -56.83 80.08 97.62 -56.80 81.21 97.57 3 0 35.07 -999 ? CL CL A 382 >THR.A 242 -55.37 77.04 95.46 -53.34 77.12 94.70 -54.35 77.08 95.08 2 0 33.58 -999 ? CL CL A 382 >MET.A 243 -57.44 74.49 97.52 -57.01 71.84 99.78 -57.22 73.17 98.65 2 0 30.70 -999 ? CL CL A 383 >THR.A 244 -60.54 73.51 95.50 -59.95 72.82 93.56 -60.24 73.17 94.53 2 0 37.53 -999 ? CL CL A 382 >LEU.A 245 -60.73 69.50 98.26 -60.25 67.84 96.92 -60.49 68.67 97.59 3 0 33.80 -999 ? CL CL A 383 >HIS.A 246 -65.97 72.19 102.08 -66.87 73.22 103.68 -66.42 72.70 102.88 3 0 33.92 -999 ? CL CL A 383 >ARG.A 247 -59.24 68.01 103.62 -57.26 66.97 105.71 -58.25 67.49 104.66 2 0 25.12 -999 ? CL CL A 383 >PRO.A 248 -64.82 72.75 106.47 -62.59 72.87 106.27 -63.71 72.81 106.37 3 0 29.69 -999 ? CL CL A 383 >LYS^A 249 -61.09 73.36 110.22 -57.90 69.98 113.58 -59.49 71.67 111.90 2 0 20.12 -999 ? CL CL A 383 >THR^A 250 -61.67 75.47 113.25 -63.75 75.29 113.93 -62.71 75.38 113.59 2 0 26.09 -999 ? CL CL A 383 >VAL^A 251 -58.99 75.77 115.94 -56.93 75.11 115.44 -57.96 75.44 115.69 3 0 20.90 -999 ? CL CL A 383 >VAL^A 252 -59.21 77.41 119.40 -60.72 77.55 121.04 -59.97 77.48 120.22 3 0 21.67 -999 ? CL CL A 383 >VAL.A 253 -55.95 79.17 120.35 -54.55 80.14 118.94 -55.25 79.66 119.65 3 0 19.93 -999 ? CL CL A 383 >SER.A 254 -55.07 79.89 124.03 -54.85 77.57 124.75 -54.96 78.74 124.39 2 0 17.03 -999 ? CL CL A 383 >ASP.A 257 -55.05 88.25 125.09 -55.04 86.55 126.35 -55.04 87.40 125.72 2 0 24.30 -999 ? CL CL A 383 >ASN~A 258 -54.65 91.43 120.94 -52.65 90.78 121.44 -53.65 91.11 121.19 2 0 27.57 -999 ? CL CL A 383 >LEU~A 259 -56.50 90.88 115.82 -57.48 89.47 114.37 -56.99 90.18 115.10 3 0 30.57 -999 ? CL CL A 383 >ALA~A 260 -51.98 90.24 116.77 -51.20 91.41 117.38 -51.59 90.83 117.08 2 0 28.69 -999 ? CL CL A 383 >ALA~A 261 -51.30 87.37 119.20 -51.49 87.39 120.67 -51.40 87.38 119.94 2 0 24.23 -999 ? CL CL A 383 >LEU~A 262 -55.55 85.54 117.42 -57.07 83.97 117.02 -56.31 84.75 117.22 3 0 25.17 -999 ? CL CL A 383 >GLN~A 263 -52.22 87.13 111.93 -52.86 88.89 110.86 -52.54 88.01 111.40 2 0 29.79 -999 ? CL CL A 383 >LYS~A 264 -48.92 85.08 115.29 -44.06 86.61 118.76 -46.49 85.85 117.03 2 0 22.00 -999 ? CL CL A 382 >GLN~A 265 -49.86 82.23 119.29 -50.68 81.58 121.15 -50.27 81.91 120.22 2 0 18.63 -999 ? CL CL A 383 >ALA~A 266 -52.27 80.65 114.02 -53.41 81.50 113.45 -52.84 81.08 113.74 2 0 23.08 -999 ? CL CL A 383 >LYS~A 267 -49.43 81.28 111.60 -49.39 86.78 108.40 -49.41 84.03 110.00 2 0 27.66 -999 ? CL CL A 382 >LYS~A 268 -47.11 79.10 113.63 -43.53 76.03 116.02 -45.32 77.56 114.82 2 0 13.60 -999 ? CL CL A 382 >GLN~A 269 -51.90 74.98 113.67 -51.01 73.36 114.78 -51.45 74.17 114.23 2 0 16.14 -999 ? CL CL A 383 >LEU~A 270 -50.44 78.04 108.85 -52.50 78.70 108.33 -51.47 78.37 108.59 3 0 23.55 -999 ? CL CL A 383 >ALA~A 271 -46.19 76.51 109.39 -45.19 77.53 109.91 -45.69 77.02 109.65 2 0 18.46 -999 ? CL CL A 382 >ASP~A 272 -46.67 73.24 112.92 -45.43 74.19 114.38 -46.05 73.71 113.65 2 0 14.48 -999 ? CL CL A 382 >TRP~A 273 -50.89 71.02 111.12 -54.05 73.34 111.49 -52.47 72.18 111.30 3 0 19.00 -999 ? CL CL A 383 >ARG~A 274 -45.43 76.09 104.31 -44.66 77.94 101.95 -45.04 77.02 103.13 2 0 23.93 -999 ? CL CL A 382 >LEU~A 275 -42.94 71.56 108.70 -41.37 73.02 108.92 -42.15 72.29 108.81 3 0 15.03 -999 ? CL CL A 382 >GLU~A 276 -46.62 67.79 110.40 -48.46 68.09 111.43 -47.54 67.94 110.92 2 0 16.10 -999 ? CL CL A 383 >GLY~A 277 -46.60 67.89 104.45 -45.85 67.87 104.64 -46.23 67.88 104.55 1 0 20.14 -999 ? CL CL A 382 >PHE^A 278 -41.58 68.34 101.14 -39.35 67.93 99.61 -40.47 68.14 100.37 3 0 20.15 -999 ? CL CL A 384 >THR^A 279 -40.03 65.40 103.95 -40.07 64.36 105.87 -40.05 64.88 104.91 2 0 15.90 -999 ? CL CL A 382 >LEU^A 280 -36.16 65.89 101.22 -34.69 65.78 99.61 -35.43 65.83 100.42 3 0 15.06 -999 ? CL CL A 384 >THR^A 281 -34.83 61.90 103.55 -35.70 60.62 105.09 -35.27 61.26 104.32 2 0 16.66 -999 ? CL CL A 384 >ILE^A 282 -30.54 62.79 101.68 -29.98 63.61 100.68 -30.26 63.20 101.18 3 0 10.34 -999 ? CL CL A 384 >THR^A 283 -28.94 58.76 103.11 -29.59 56.83 103.84 -29.27 57.79 103.48 2 0 13.40 -999 ? CL CL A 384 >VAL^A 284 -25.13 59.37 102.82 -25.01 61.54 103.16 -25.07 60.46 102.99 3 0 7.63 -999 ? CL CL A 384 >GLY^A 285 -22.09 57.26 103.59 -22.19 58.16 103.73 -22.14 57.71 103.66 1 0 9.46 -999 ? CL CL A 384 >GLY.A 286 -20.05 58.49 106.62 -20.88 58.44 106.59 -20.47 58.47 106.61 1 0 9.30 -999 ? CL CL A 384 >HIS.A 287 -21.23 59.04 111.08 -21.85 57.11 111.58 -21.54 58.08 111.33 3 0 12.74 -999 ? CL CL A 384 >LYS.A 288 -19.18 64.09 108.25 -14.44 63.70 112.45 -16.81 63.89 110.35 2 0 12.57 -999 ? CL CL A 384 >THR.A 289 -19.38 66.54 105.44 -19.89 68.46 106.21 -19.63 67.50 105.83 2 0 4.96 -999 ? CL CL A 384 >ARG.A 290 -15.77 66.49 99.38 -13.63 64.23 99.65 -14.70 65.36 99.52 2 0 -7.44 -999 ? CL CL A 384s >ASP.A 291 -15.45 71.21 105.07 -17.40 71.77 105.62 -16.42 71.49 105.34 2 0 7.30 -999 ? CL CL A 384 >GLY.A 292 -15.25 67.65 108.46 -15.89 68.08 108.32 -15.57 67.86 108.39 1 0 8.59 -999 ? CL CL A 384 >VAL.A 293 -18.54 68.79 110.04 -19.46 70.86 109.94 -19.00 69.82 109.99 3 0 9.06 -999 ? CL CL A 384 >LEU.A 294 -20.50 65.83 113.35 -19.19 64.29 114.19 -19.84 65.06 113.77 3 0 12.12 -999 ? CL CL A 384 >TRP.A 295 -23.52 63.66 108.01 -24.09 66.35 105.26 -23.81 65.01 106.64 3 0 6.11 -999 ? CL CL A 384 >GLN.A 296 -25.90 69.07 115.31 -25.94 67.37 116.61 -25.92 68.22 115.96 2 0 9.60 -999 ? CL CL A 382 >PRO.A 297 -30.58 67.43 114.39 -29.32 68.86 113.23 -29.95 68.15 113.81 3 0 8.38 -999 ? CL CL A 382 >GLY.A 298 -29.84 73.06 112.32 -29.55 72.57 111.73 -29.70 72.82 112.02 1 0 11.45 -999 ? CL CL A 382 >LEU.A 299 -26.58 71.67 109.01 -24.70 71.52 110.03 -25.64 71.60 109.52 3 0 10.71 -999 ? CL CL A 384 >ARG^A 300 -30.16 77.29 106.40 -29.79 78.90 103.79 -29.98 78.09 105.10 2 0 15.75 -999 ? CL CL A 384 >VAL^A 301 -27.97 71.52 102.89 -27.57 69.40 103.47 -27.77 70.46 103.18 3 0 8.51 -999 ? CL CL A 384 >HIS^A 302 -27.17 73.50 97.06 -27.34 73.92 95.02 -27.26 73.71 96.04 3 0 11.51 -999 ? CL CL A 384 >VAL^A 303 -29.39 69.38 97.27 -30.61 67.80 98.28 -30.00 68.59 97.77 3 0 10.58 -999 ? CL CL A 384 >ILE^A 304 -27.88 69.28 92.71 -27.16 70.21 91.96 -27.52 69.74 92.34 3 0 12.23 -999 ? CL CL A 384 >ASP^A 305 -32.01 65.22 92.45 -32.49 63.34 91.63 -32.25 64.28 92.04 2 0 16.01 -999 ? CL CL A 384 >ASP.A 306 -29.63 66.56 87.01 -28.35 68.29 87.20 -28.99 67.43 87.10 2 0 16.66 -999 ? CL CL A 384 >GLU.A 307 -31.95 61.22 87.08 -31.47 59.40 88.12 -31.71 60.31 87.60 2 0 18.04 -999 ? CL CL B 382 >HIS.A 308 -37.01 64.37 91.64 -38.79 63.83 92.62 -37.90 64.10 92.13 3 0 20.06 -999 ? CL CL A 384 >GLY.A 309 -35.24 68.60 88.70 -35.11 68.24 89.40 -35.17 68.42 89.05 1 0 19.85 -999 ? CL CL A 384 >ILE^A 310 -34.33 68.55 93.53 -34.85 68.03 94.76 -34.59 68.29 94.14 3 0 16.17 -999 ? CL CL A 384 >ASP^A 311 -31.19 72.86 91.72 -29.44 73.97 92.12 -30.32 73.41 91.92 2 0 15.19 -999 ? CL CL A 384 >ALA^A 312 -32.59 73.91 96.33 -34.10 73.68 96.50 -33.35 73.79 96.42 2 0 16.34 -999 ? CL CL A 384 >VAL^A 313 -31.54 74.40 99.91 -30.16 75.92 100.74 -30.85 75.16 100.33 3 0 13.69 -999 ? CL CL A 384 >PHE^A 314 -34.16 70.73 101.01 -35.38 70.42 98.49 -34.77 70.58 99.75 3 0 15.06 -999 ? CL CL A 384 >PHE^A 315 -33.90 73.75 108.57 -33.36 74.13 111.32 -33.63 73.94 109.94 3 0 12.88 -999 ? CL CL A 382 >LEU^A 316 -30.45 69.26 108.51 -29.59 67.27 108.68 -30.02 68.26 108.60 3 0 11.94 -999 ? CL CL A 384 >MET^A 317 -34.51 68.89 111.14 -37.31 70.75 112.30 -35.91 69.82 111.72 2 0 9.59 -999 ? CL CL A 382 >GLY^A 318 -33.39 65.39 112.09 -32.99 65.64 111.42 -33.19 65.51 111.76 1 0 8.74 -999 ? CL CL A 382 >ARG^A 319 -27.23 63.29 112.77 -27.13 63.50 115.87 -27.18 63.39 114.32 2 0 9.49 -999 ? CL CL A 382 >ARG^A 320 -32.10 56.68 112.17 -32.95 53.99 110.90 -32.53 55.34 111.54 2 0 16.18 -999 ? CL CL A 382 >PHE^A 321 -24.41 60.10 113.58 -23.51 62.82 113.64 -23.96 61.46 113.61 3 0 13.33 -999 ? CL CL A 384 >MET^A 322 -26.04 54.57 111.72 -29.69 54.59 109.53 -27.87 54.58 110.62 2 0 16.90 -999 ? CL CL A 384 >LEU^A 323 -22.58 51.36 112.63 -20.70 50.22 112.53 -21.64 50.79 112.58 3 0 19.04 -999 ? CL CL A 384 >SER^A 324 -24.77 48.15 110.31 -26.00 48.61 108.19 -25.39 48.38 109.25 2 0 19.72 -999 ? CL CL A 384 >ARG.A 325 -22.19 42.21 111.60 -22.86 39.29 112.51 -22.52 40.75 112.05 2 0 29.26 -999 ? CL CL A 384 >MET.A 326 -24.86 45.25 105.84 -28.78 44.86 104.41 -26.82 45.06 105.12 2 0 23.24 -999 ? CL CL A 384 >ASP.A 327 -25.74 49.77 105.10 -27.34 48.80 104.08 -26.54 49.29 104.59 2 0 19.04 -999 ? CL CL A 384 >GLY^A 328 -21.48 50.12 107.21 -22.25 50.36 107.20 -21.86 50.24 107.21 1 0 17.20 -999 ? CL CL A 384 >THR^A 329 -21.38 53.78 108.30 -19.71 54.59 109.49 -20.54 54.18 108.90 2 0 14.14 -999 ? CL CL A 384 >GLN^A 330 -24.70 54.33 105.30 -26.34 53.14 104.66 -25.52 53.74 104.98 2 0 14.80 -999 ? CL CL A 384 >THR^A 331 -26.18 59.17 108.07 -25.19 60.90 109.06 -25.69 60.03 108.56 2 0 10.31 -999 ? CL CL A 384 >GLU^A 332 -32.41 59.20 107.78 -33.78 57.91 108.78 -33.09 58.55 108.28 2 0 14.84 -999 ? CL CL A 382 >LEU^A 333 -29.74 64.00 105.92 -27.57 64.21 106.03 -28.65 64.11 105.97 3 0 9.52 -999 ? CL CL A 384 >ARG^A 334 -35.93 61.76 109.91 -34.52 61.40 112.61 -35.23 61.58 111.26 2 0 9.67 -999 ? CL CL A 382 >LEU^A 335 -33.77 67.49 104.20 -31.62 67.68 104.05 -32.69 67.58 104.12 3 0 12.54 -999 ? CL CL A 384 >LYS^A 336 -37.43 70.02 105.34 -41.47 67.12 107.58 -39.45 68.57 106.46 2 0 14.72 -999 ? CL CL A 382 >GLU^A 337 -40.07 74.65 102.17 -42.10 75.18 101.81 -41.08 74.92 101.99 2 0 21.89 -999 ? CL CL A 382 >ASP.A 338 -35.06 76.37 102.96 -33.50 77.52 103.78 -34.28 76.95 103.37 2 0 17.28 -999 ? CL CL A 384 >GLY.A 339 -37.15 79.07 105.90 -37.54 78.40 106.05 -37.35 78.73 105.97 1 0 19.32 -999 ? CL CL A 382 >ILE.A 340 -41.10 76.39 106.63 -42.15 77.02 105.90 -41.63 76.71 106.26 3 0 18.78 -999 ? CL CL A 382 >TRP.A 341 -39.95 74.25 113.33 -36.58 74.16 115.41 -38.26 74.21 114.37 3 0 10.34 -999 ? CL CL A 382 >THR.A 342 -39.29 79.06 113.77 -38.09 77.69 114.94 -38.69 78.38 114.35 2 0 12.75 -999 ? CL CL A 382 >PRO.A 343 -41.17 81.83 110.91 -39.09 81.48 111.75 -40.13 81.65 111.33 3 0 18.35 -999 ? CL CL A 382 >ASP.A 344 -40.03 84.87 115.12 -41.94 84.93 114.19 -40.99 84.90 114.65 2 0 20.56 -999 ? CL CL A 382 >ALA.A 345 -35.83 83.37 115.92 -35.32 81.91 116.06 -35.58 82.64 115.99 2 0 15.79 -999 ? CL CL A 382 >TYR.A 346 -31.44 83.83 114.39 -30.05 82.53 116.45 -30.74 83.18 115.42 3 0 17.61 -999 ? CL CL A 382 >PRO.A 347 -36.59 88.39 113.21 -35.13 87.26 111.87 -35.86 87.82 112.54 3 0 22.55 -999 ? CL CL A 382 >TYR.B 6 -31.00 62.22 83.89 -31.26 65.01 83.64 -31.13 63.62 83.76 3 0 15.73 -999 ? CL CL B 382 >GLY.B 7 -28.36 56.59 83.26 -28.24 57.01 82.53 -28.30 56.80 82.90 1 0 12.08 -999 ? CL CL B 382 >TYR.B 8 -23.96 53.72 82.39 -21.76 54.53 83.93 -22.86 54.12 83.16 3 0 11.88 -999 ? CL CL B 382 >ALA.B 9 -27.19 54.08 77.54 -26.99 55.10 76.37 -27.09 54.59 76.96 2 0 5.05 -999 ? CL CL B 382 >VAL^B 10 -26.72 50.24 77.32 -26.04 48.81 78.87 -26.38 49.52 78.09 3 0 8.85 -999 ? CL CL B 382 >SER^B 11 -27.63 49.84 73.72 -27.05 52.31 73.59 -27.34 51.07 73.65 2 0 4.09 -999 ? CL CL B 382 >VAL^B 12 -27.81 46.39 72.24 -27.99 44.56 73.33 -27.90 45.47 72.78 3 0 10.38 -999 ? CL CL B 382 >ARG^B 13 -26.14 48.57 68.77 -25.79 51.69 68.63 -25.97 50.13 68.70 2 0 4.84 -999 ? CL CL B 382 >VAL^B 14 -29.95 42.68 66.90 -30.31 40.99 68.30 -30.13 41.84 67.60 3 0 14.99 -999 ? CL CL B 382 >GLY.B 15 -31.19 42.55 63.28 -31.02 43.21 63.76 -31.11 42.88 63.52 1 0 16.45 -999 ? CL CL B 382 >GLY.B 16 -31.15 46.32 63.21 -31.52 45.86 63.71 -31.34 46.09 63.46 1 0 13.71 -999 ? CL CL B 382 >LYS^B 17 -33.42 46.60 66.26 -37.89 44.12 63.72 -35.65 45.36 64.99 2 0 18.67 -999 ? CL CL B 382 >GLU^B 18 -29.91 50.09 69.26 -29.49 51.30 70.99 -29.70 50.69 70.12 2 0 5.91 -999 ? CL CL B 382 >HIS^B 19 -33.46 45.18 72.05 -34.46 43.90 70.71 -33.96 44.54 71.38 3 0 13.92 -999 ? CL CL B 382 >ARG.B 20 -30.86 53.38 73.69 -28.77 54.55 71.62 -29.82 53.97 72.65 2 0 -3.56 -999 ? CL CL B 382s >HIS.B 21 -35.26 51.10 78.45 -35.36 53.13 77.89 -35.31 52.11 78.17 3 0 12.39 -999 ? CL CL B 382 >TRP.B 22 -30.24 47.05 78.99 -31.39 44.39 76.36 -30.81 45.72 77.67 3 0 12.71 -999 ? CL CL B 382 >GLU.B 23 -35.83 43.78 85.87 -35.49 42.75 87.75 -35.66 43.27 86.81 2 0 22.91 -999 ? CL CL B 382 >ARG^B 24 -30.86 40.03 86.77 -33.42 38.25 86.47 -32.14 39.14 86.62 2 0 24.13 -999 ? CL CL B 382 >TYR^B 25 -26.62 44.42 81.68 -25.97 47.00 82.31 -26.29 45.71 81.99 3 0 14.27 -999 ? CL CL B 382 >ASP^B 26 -23.45 39.33 83.60 -24.23 39.48 85.53 -23.84 39.40 84.56 2 0 16.51 -999 ? CL CL B 383 >ILE^B 27 -21.36 42.82 79.43 -21.87 43.73 78.56 -21.62 43.28 78.99 3 0 12.76 -999 ? CL CL B 383 >ASP^B 28 -18.06 38.42 81.61 -16.37 38.03 82.88 -17.21 38.23 82.25 2 0 9.00 -999 ? CL CL B 383 >SER^B 29 -14.55 40.12 78.88 -15.61 41.67 77.42 -15.08 40.89 78.15 2 0 6.98 -999 ? CL CL B 383 >ASP^B 30 -11.77 37.20 80.70 -10.35 36.55 82.15 -11.06 36.88 81.42 2 0 -6.72 -999 ? CL CL B 383s >PHE.B 31 -6.42 39.91 78.10 -6.19 42.61 77.46 -6.30 41.26 77.78 3 0 7.44 -999 ? CL CL B 383 >LEU.B 32 -7.02 33.83 80.60 -4.90 34.40 80.97 -5.96 34.11 80.79 3 0 7.94 -999 ? CL CL B 383 >ILE.B 33 -12.45 33.28 79.74 -13.43 33.11 80.74 -12.94 33.20 80.24 3 0 -5.89 -999 ? CL CL B 383s >PRO.B 34 -10.92 29.95 75.64 -11.55 32.06 75.86 -11.24 31.01 75.75 3 0 -5.14 -999 ? CL CL B 384s >ALA.B 35 -15.02 33.54 74.31 -16.10 32.59 73.63 -15.56 33.07 73.97 2 0 6.30 -999 ? CL CL B 383 >ASP.B 36 -15.98 38.04 75.83 -14.00 38.51 76.08 -14.99 38.27 75.95 2 0 -3.35 -999 ? CL CL B 383s >SER^B 37 -19.96 36.46 76.97 -19.82 35.54 79.16 -19.89 36.00 78.07 2 0 9.16 -999 ? CL CL B 383 >PHE^B 38 -23.97 38.95 75.33 -24.99 38.00 72.98 -24.48 38.47 74.16 3 0 13.26 -999 ? CL CL B 383 >ASP^B 39 -26.18 36.85 80.53 -27.97 36.10 81.34 -27.08 36.48 80.94 2 0 17.51 -999 ? CL CL B 383 >PHE^B 40 -28.38 41.84 77.72 -26.19 43.42 77.21 -27.28 42.63 77.47 3 0 14.24 -999 ? CL CL B 382 >VAL^B 41 -32.76 40.19 80.92 -33.24 38.95 82.64 -33.00 39.57 81.78 3 0 20.36 -999 ? CL CL B 382 >ILE^B 42 -36.45 42.44 78.48 -36.57 43.56 77.29 -36.51 43.00 77.88 3 0 17.87 -999 ? CL CL B 382 >PRO.B 52 -39.25 39.15 69.94 -40.05 37.09 69.40 -39.65 38.12 69.67 3 0 22.57 -999 ? CL CL B 382 >ASP.B 53 -37.14 32.94 67.80 -35.44 31.68 68.05 -36.29 32.31 67.93 2 0 25.44 -999 ? CL CL B 384 >LEU.B 54 -33.23 37.32 69.22 -34.33 39.18 69.09 -33.78 38.25 69.16 3 0 19.33 -999 ? CL CL B 382 >SER.B 55 -31.36 33.02 68.90 -32.51 30.85 68.96 -31.93 31.93 68.93 2 0 22.28 -999 ? CL CL B 384 >GLY.B 56 -28.65 32.56 66.30 -28.87 33.28 66.56 -28.76 32.92 66.43 1 0 19.89 -999 ? CL CL B 383 >GLU.B 57 -31.25 37.00 65.18 -31.15 36.75 63.13 -31.20 36.88 64.15 2 0 21.35 -999 ? CL CL B 382 >SER^B 58 -25.70 38.53 65.32 -24.63 37.89 63.26 -25.17 38.21 64.29 2 0 18.06 -999 ? CL CL B 383 >CYH^B 59 -25.66 41.31 67.81 -25.65 39.78 70.09 -25.66 40.55 68.95 2 0 15.58 -999 ? CL CL B 383 >GLU^B 60 -22.53 44.68 66.99 -22.71 45.90 65.28 -22.62 45.29 66.13 2 0 11.77 -999 ? CL CL B 382 >VAL^B 61 -23.32 45.79 72.66 -23.39 44.41 74.45 -23.35 45.10 73.55 3 0 10.73 -999 ? CL CL B 382 >VAL^B 62 -22.61 49.46 73.08 -23.32 50.43 71.18 -22.96 49.95 72.13 3 0 6.02 -999 ? CL CL B 382 >ILE^B 63 -21.86 50.91 77.38 -21.95 50.12 78.67 -21.91 50.51 78.02 3 0 8.79 -999 ? CL CL B 382 >ASP.B 64 -22.24 55.99 77.05 -23.77 56.03 78.56 -23.00 56.01 77.81 2 0 7.14 -999 ? CL CL B 382 >GLY.B 65 -21.30 55.60 72.20 -21.07 55.03 72.67 -21.18 55.32 72.44 1 0 -4.07 -999 ? CL CL B 382s >GLN^B 66 -17.26 54.73 74.15 -16.45 54.98 76.16 -16.85 54.85 75.16 2 0 9.99 -999 ? CL CL B 382 >ILE^B 67 -18.16 48.90 69.67 -18.39 48.16 69.58 -18.27 48.53 69.62 3 0 10.09 -999 ? CL CL B 382 >VAL^B 68 -18.30 46.87 73.83 -18.97 47.30 75.92 -18.64 47.09 74.87 3 0 11.20 -999 ? CL CL B 382 >MET^B 69 -18.92 43.37 72.28 -19.57 39.87 74.69 -19.24 41.62 73.48 2 0 8.86 -999 ? CL CL B 383 >THR^B 70 -19.70 41.85 68.88 -18.91 42.81 67.10 -19.30 42.33 67.99 2 0 12.95 -999 ? CL CL B 383 >GLY^B 71 -21.31 38.41 68.97 -21.84 38.86 68.63 -21.58 38.64 68.80 1 0 12.01 -999 ? CL CL B 383 >ILE^B 72 -23.62 34.75 67.53 -23.15 34.47 66.68 -23.38 34.61 67.10 3 0 14.71 -999 ? CL CL B 383 >ILE^B 73 -28.50 35.88 70.26 -29.59 36.66 70.66 -29.05 36.27 70.46 3 0 18.31 -999 ? CL CL B 383 >GLY^B 74 -26.68 31.63 71.52 -27.33 32.04 71.74 -27.01 31.84 71.63 1 0 16.45 -999 ? CL CL B 383 >SER^B 75 -29.84 31.14 73.52 -29.06 31.04 75.74 -29.45 31.09 74.63 2 0 18.40 -999 ? CL CL B 383 >GLN^B 76 -34.98 34.32 73.52 -35.81 35.28 71.77 -35.40 34.80 72.65 2 0 22.74 -999 ? CL CL B 382 >ARG^B 77 -35.60 30.51 80.72 -37.43 31.47 83.02 -36.52 30.99 81.87 2 0 27.48 -999 ? CL CL B 383 >HIS^B 78 -41.15 34.55 77.14 -42.58 35.82 77.99 -41.86 35.19 77.56 3 0 26.83 -999 ? CL CL B 382 >GLY^B 79 -40.34 32.72 81.28 -40.59 33.43 80.95 -40.47 33.08 81.11 1 0 28.91 -999 ? CL CL B 382 >LYS^B 80 -43.65 33.60 82.90 -47.69 34.28 78.00 -45.67 33.94 80.45 2 0 31.45 -999 ? CL CL B 382 >SER.B 81 -45.79 33.00 85.93 -44.60 34.07 87.66 -45.19 33.54 86.80 2 0 32.95 -999 ? CL CL B 382 >LYS.B 82 -48.91 34.74 87.29 -47.83 32.98 92.37 -48.37 33.86 89.83 2 0 37.97 -999 ? CL CL B 382 >GLY.B 83 -46.92 37.66 88.79 -46.61 37.27 88.22 -46.77 37.47 88.51 1 0 32.83 -999 ? CL CL B 382 >SER.B 84 -43.97 37.95 86.39 -42.48 36.42 87.54 -43.22 37.18 86.97 2 0 30.17 -999 ? CL CL B 382 >ARG^B 85 -45.61 37.84 80.13 -46.20 40.84 79.69 -45.90 39.34 79.91 2 0 26.72 -999 ? CL CL B 382 >GLU^B 86 -37.46 36.82 83.59 -36.60 37.35 85.50 -37.03 37.09 84.55 2 0 25.45 -999 ? CL CL B 382 >LEU^B 87 -37.61 38.36 77.35 -37.44 37.97 75.15 -37.52 38.17 76.25 3 0 21.66 -999 ? CL CL B 382 >SER^B 88 -33.45 36.60 78.54 -33.30 34.49 79.66 -33.37 35.54 79.10 2 0 22.31 -999 ? CL CL B 383 >LEU^B 89 -30.76 37.74 74.88 -32.34 38.38 73.55 -31.55 38.06 74.22 3 0 18.66 -999 ? CL CL B 382 >SER^B 90 -27.25 35.25 76.13 -27.68 33.11 77.15 -27.47 34.18 76.64 2 0 16.63 -999 ? CL CL B 383 >GLY^B 91 -24.29 34.63 73.94 -24.01 34.96 74.63 -24.15 34.79 74.28 1 0 13.05 -999 ? CL CL B 383 >ARG^B 92 -19.73 31.24 73.98 -19.77 29.09 71.81 -19.75 30.17 72.90 2 0 9.18 -999 ? CL CL B 384 >ASP^B 93 -17.13 37.76 71.68 -15.50 36.45 72.23 -16.31 37.11 71.95 2 0 5.22 -999 ? CL CL B 383 >LEU~B 94 -16.67 36.72 66.60 -18.03 37.94 65.44 -17.35 37.33 66.02 3 0 11.23 -999 ? CL CL B 383 >ALA~B 95 -14.44 33.46 69.35 -13.59 33.72 70.62 -14.02 33.59 69.98 2 0 5.98 -999 ? CL CL B 383 >GLY~B 96 -17.52 31.23 69.94 -17.03 31.31 69.27 -17.27 31.27 69.60 1 0 8.80 -999 ? CL CL B 384 >PHE~B 97 -18.35 31.53 64.75 -20.77 32.66 63.92 -19.56 32.09 64.33 3 0 13.75 -999 ? CL CL B 384 >LEU~B 98 -12.36 30.25 66.81 -12.02 31.39 64.97 -12.19 30.82 65.89 3 0 8.97 -999 ? CL CL B 384 >VAL~B 99 -14.06 27.65 70.22 -14.45 28.44 72.35 -14.25 28.04 71.29 3 0 4.20 -999 ? CL CL B 384 >ASP~B 100 -18.20 25.71 68.46 -19.22 26.77 70.02 -18.71 26.24 69.24 2 0 8.80 -999 ? CL CL B 384 >CYH~B 101 -15.29 24.34 65.44 -17.25 26.12 64.31 -16.27 25.23 64.87 2 0 11.10 -999 ? CL CL B 384 >SER.B 102 -12.47 21.91 64.46 -13.46 19.75 64.64 -12.96 20.83 64.55 2 0 11.35 -999 ? CL CL B 384 >ALA.B 103 -9.13 23.29 63.46 -7.92 23.41 64.32 -8.52 23.35 63.89 2 0 10.27 -999 ? CL CL B 384 >PRO.B 104 -7.75 24.42 59.55 -8.33 22.50 60.53 -8.04 23.46 60.04 3 0 14.22 -999 ? CL CL B 384 >GLN.B 105 -4.78 17.78 59.33 -3.82 17.92 61.27 -4.30 17.85 60.30 2 0 16.65 -999 ? CL CL B 384 >LEU.B 106 -3.18 24.68 59.43 -3.52 26.14 57.82 -3.35 25.41 58.62 3 0 16.93 -999 ? CL CL B 384 >ASN.B 107 2.05 22.81 57.51 4.16 22.93 58.02 3.10 22.87 57.77 2 0 22.13 -999 ? CL CL B 384 >VAL.B 108 2.05 26.91 59.97 0.86 27.04 61.81 1.45 26.97 60.89 3 0 17.94 -999 ? CL CL B 384 >LYS.B 109 5.83 26.41 59.87 10.67 23.27 57.97 8.25 24.84 58.92 2 0 27.05 -999 ? CL CL B 384 >GLY.B 110 7.47 29.44 58.24 6.74 29.50 58.60 7.11 29.47 58.42 1 0 24.37 -999 ? CL CL B 384 >MET.B 111 4.25 31.32 58.38 0.57 29.43 57.42 2.41 30.38 57.90 2 0 20.24 -999 ? CL CL B 384 >THR~B 112 4.03 34.63 60.23 4.00 36.61 59.32 4.02 35.62 59.77 2 0 22.40 -999 ? CL CL B 383 >VAL~B 113 1.96 34.40 63.40 1.97 35.23 65.50 1.96 34.82 64.45 3 0 17.47 -999 ? CL CL B 383 >LEU~B 114 -0.09 38.53 61.55 -1.61 40.11 61.25 -0.85 39.32 61.40 3 0 17.91 -999 ? CL CL B 383 >ASP~B 115 0.29 34.85 57.65 0.95 36.59 56.65 0.62 35.72 57.15 2 0 22.59 -999 ? CL CL B 383 >ALA~B 116 -1.44 31.83 60.52 -0.43 31.15 61.47 -0.94 31.49 61.00 2 0 16.91 -999 ? CL CL B 384 >ALA~B 117 -4.11 33.64 62.67 -3.89 34.82 63.69 -4.00 34.23 63.18 2 0 14.14 -999 ? CL CL B 383 >LYS~B 118 -5.67 35.14 59.53 -5.83 40.14 58.40 -5.75 37.64 58.96 2 0 18.42 -999 ? CL CL B 383 >LYS~B 119 -5.81 31.71 57.90 -4.87 29.30 52.77 -5.34 30.51 55.34 2 0 21.97 -999 ? CL CL B 384 >LEU~B 120 -6.66 29.89 62.35 -5.45 28.16 62.91 -6.06 29.02 62.63 3 0 12.41 -999 ? CL CL B 384 >ALA~B 121 -10.03 32.78 61.15 -9.75 34.17 61.77 -9.89 33.48 61.46 2 0 14.04 -999 ? CL CL B 383 >ALA~B 122 -10.65 32.91 57.36 -9.64 32.37 56.25 -10.14 32.64 56.81 2 0 18.43 -999 ? CL CL B 384 >PRO.B 123 -12.17 28.88 57.87 -13.09 30.90 57.46 -12.63 29.89 57.67 3 0 16.39 -999 ? CL CL B 384 >TRP.B 124 -17.12 31.02 61.48 -14.06 28.59 61.85 -15.59 29.81 61.66 3 0 13.18 -999 ? CL CL B 384 >PRO.B 125 -16.82 35.13 55.81 -15.96 35.85 57.77 -16.39 35.49 56.79 3 0 19.40 -999 ? CL CL B 383 >GLN.B 126 -19.75 35.73 60.58 -18.91 33.76 60.12 -19.33 34.75 60.35 2 0 17.22 -999 ? CL CL B 384 >ILE.B 127 -13.42 37.22 62.44 -12.75 36.52 63.51 -13.08 36.87 62.97 3 0 12.67 -999 ? CL CL B 383 >LYS.B 128 -13.49 41.25 59.55 -18.50 40.98 58.08 -16.00 41.11 58.81 2 0 19.37 -999 ? CL CL B 383 >ALA.B 129 -10.00 42.14 60.76 -9.74 43.56 61.15 -9.87 42.85 60.96 2 0 16.15 -999 ? CL CL B 383 >VAL^B 130 -7.18 40.14 62.28 -7.00 37.96 62.10 -7.09 39.05 62.19 3 0 14.29 -999 ? CL CL B 383 >VAL^B 131 -4.45 42.31 63.82 -5.75 43.99 64.43 -5.10 43.15 64.13 3 0 14.70 -999 ? CL CL B 383 >LEU^B 132 0.10 41.64 64.93 1.90 40.55 65.34 1.00 41.09 65.13 3 0 16.89 -999 ? CL CL B 383 >LYS^B 133 -0.84 43.73 69.01 -5.56 47.16 71.00 -3.20 45.44 70.01 2 0 13.08 -999 ? CL CL B 383 >ALA.B 134 2.93 43.20 69.35 3.38 41.77 69.44 3.16 42.49 69.40 2 0 16.91 -999 ? CL CL B 383 >GLU.B 135 7.28 45.80 70.11 9.12 46.58 70.84 8.20 46.19 70.48 2 0 23.43 -999 ? CL CL B 383 >ASN.B 136 8.54 41.97 65.49 9.14 40.38 66.80 8.84 41.17 66.15 2 0 22.72 -999 ? CL CL B 383 >ASN.B 137 4.73 40.06 62.46 3.35 38.78 61.44 4.04 39.42 61.95 2 0 20.58 -999 ? CL CL B 383 >PRO.B 138 6.93 36.07 66.16 7.17 36.88 64.10 7.05 36.47 65.13 3 0 21.23 -999 ? CL CL B 383 >ALA.B 139 7.74 33.30 61.71 8.87 32.96 60.68 8.30 33.13 61.19 2 0 24.76 -999 ? CL CL B 384 >LEU.B 140 4.98 29.77 63.33 3.22 30.61 64.22 4.10 30.19 63.78 3 0 18.58 -999 ? CL CL B 384 >GLY.B 141 8.02 26.68 63.93 7.20 26.83 63.85 7.61 26.76 63.89 1 0 21.51 -999 ? CL CL B 384 >LYS.B 142 6.28 23.32 63.35 7.97 19.73 58.68 7.13 21.52 61.01 2 0 25.17 -999 ? CL CL B 384 >ILE.B 143 2.30 24.62 65.72 2.44 25.07 67.19 2.37 24.84 66.45 3 0 15.40 -999 ? CL CL B 384 >ASP.B 144 1.70 18.75 65.96 3.42 18.04 64.94 2.56 18.40 65.45 2 0 18.90 -999 ? CL CL B 384 >ILE.B 145 -3.36 21.40 64.64 -2.72 21.41 63.37 -3.04 21.40 64.01 3 0 13.52 -999 ? CL CL B 384 >GLU.B 146 -2.82 16.82 69.01 -1.28 15.52 68.26 -2.05 16.17 68.64 2 0 15.61 -999 ? CL CL B 384 >PRO.B 147 -5.98 13.63 65.39 -6.74 15.79 65.57 -6.36 14.71 65.48 3 0 14.98 -999 ? CL CL B 384 >GLY.B 148 -10.37 17.04 67.47 -9.78 17.53 67.22 -10.08 17.29 67.35 1 0 11.16 -999 ? CL CL B 384 >GLU.B 149 -6.14 20.54 69.48 -4.10 21.06 69.10 -5.12 20.80 69.29 2 0 9.91 -999 ? CL CL B 384 >THR~B 150 -10.60 23.36 68.09 -11.46 23.86 70.00 -11.03 23.61 69.05 2 0 4.38 -999 ? CL CL B 384 >VAL~B 151 -9.66 26.40 66.10 -10.42 27.33 64.28 -10.04 26.86 65.19 3 0 8.51 -999 ? CL CL B 384 >TRP~B 152 -9.27 29.84 72.50 -9.68 33.36 70.78 -9.48 31.60 71.64 3 0 5.87 -999 ? CL CL B 384 >GLN~B 153 -8.23 24.01 72.15 -8.98 21.99 72.34 -8.61 23.00 72.24 2 0 5.03 -999 ? CL CL B 384 >ALA~B 154 -4.85 25.78 67.69 -5.32 25.38 66.32 -5.08 25.58 67.00 2 0 9.41 -999 ? CL CL B 384 >LEU~B 155 -5.95 30.49 67.48 -6.03 32.47 66.79 -5.99 31.48 67.13 3 0 9.76 -999 ? CL CL B 384 >THR~B 156 -3.77 29.63 71.36 -4.95 29.51 73.21 -4.36 29.57 72.28 2 0 7.01 -999 ? CL CL B 384 >HIS~B 157 0.17 24.88 70.38 1.86 23.62 70.32 1.01 24.25 70.35 3 0 12.80 -999 ? CL CL B 384 >ILE~B 158 -0.49 29.35 66.52 -0.88 29.21 65.30 -0.68 29.28 65.91 3 0 13.35 -999 ? CL CL B 384 >ALA~B 159 0.19 32.47 69.55 -1.13 33.12 70.03 -0.47 32.80 69.79 2 0 12.15 -999 ? CL CL B 383 >ASN~B 160 0.91 30.00 73.77 -0.90 30.65 74.84 0.01 30.32 74.30 2 0 11.23 -999 ? CL CL B 384 >SER~B 161 4.53 29.49 70.92 4.35 29.43 68.47 4.44 29.46 69.69 2 0 16.65 -999 ? CL CL B 384 >VAL~B 162 5.87 33.01 70.31 5.41 33.44 68.14 5.64 33.22 69.22 3 0 18.49 -999 ? CL CL B 383 >GLY.B 163 4.89 34.51 73.70 4.40 34.50 73.10 4.64 34.51 73.40 1 0 16.55 -999 ? CL CL B 383 >LEU.B 164 1.48 36.51 71.18 2.78 38.06 70.40 2.13 37.28 70.79 3 0 14.42 -999 ? CL CL B 383 >HIS^B 165 -3.45 34.55 75.15 -4.91 33.27 75.93 -4.18 33.91 75.54 3 0 7.69 -999 ? CL CL B 383 >PRO^B 166 -5.46 33.12 71.21 -4.91 35.29 71.56 -5.18 34.20 71.39 3 0 7.83 -999 ? CL CL B 383 >TRP^B 167 -8.26 40.92 72.83 -4.37 40.96 73.30 -6.31 40.94 73.07 3 0 7.30 -999 ? CL CL B 383 >LEU^B 168 -12.86 38.79 70.27 -14.13 38.93 68.38 -13.50 38.86 69.32 3 0 6.98 -999 ? CL CL B 383 >GLU.B 169 -9.49 44.22 70.62 -8.22 45.44 69.57 -8.86 44.83 70.10 2 0 11.31 -999 ? CL CL B 383 >PRO.B 170 -13.91 46.13 72.92 -14.33 44.70 71.25 -14.12 45.41 72.09 3 0 10.02 -999 ? CL CL B 383 >ASP.B 171 -14.88 46.75 66.62 -12.79 46.40 66.16 -13.84 46.57 66.39 2 0 13.77 -999 ? CL CL B 383 >GLY.B 172 -14.97 41.92 66.55 -14.33 42.42 66.54 -14.65 42.17 66.54 1 0 11.11 -999 ? CL CL B 383 >THR.B 173 -11.33 42.23 65.51 -10.11 43.97 64.96 -10.72 43.10 65.24 2 0 13.07 -999 ? CL CL B 383 >LEU^B 174 -9.24 37.90 65.57 -8.57 35.93 66.28 -8.91 36.91 65.92 3 0 9.95 -999 ? CL CL B 383 >VAL^B 175 -5.97 39.95 67.93 -5.84 41.48 69.53 -5.90 40.72 68.73 3 0 9.78 -999 ? CL CL B 383 >VAL^B 176 -2.86 38.00 68.54 -2.15 36.06 67.82 -2.50 37.03 68.18 3 0 11.60 -999 ? CL CL B 383 >GLY^B 177 -0.75 40.04 70.93 -0.92 39.38 71.34 -0.83 39.71 71.14 1 0 12.21 -999 ? CL CL B 383 >GLY.B 178 0.20 40.92 74.47 -0.03 41.61 74.05 0.08 41.27 74.26 1 0 12.55 -999 ? CL CL B 383 >ALA.B 179 0.07 43.70 77.00 0.03 43.44 78.44 0.05 43.57 77.72 2 0 13.78 -999 ? CL CL B 383 >ASP.B 180 0.82 48.22 75.52 2.17 49.73 74.84 1.50 48.98 75.18 2 0 19.08 -999 ? CL CL B 383 >TYR.B 181 3.07 45.96 80.85 1.96 43.49 81.23 2.52 44.72 81.04 3 0 17.17 -999 ? CL CL B 383 >SER.B 182 3.87 51.50 78.45 3.77 52.23 76.11 3.82 51.87 77.28 2 0 21.98 -999 ? CL CL B 383 >SER.B 183 0.48 53.13 78.50 -0.49 51.65 76.91 -0.01 52.39 77.70 2 0 18.84 -999 ? CL CL B 383 >PRO.B 184 -0.13 56.99 80.37 0.13 54.84 81.02 0.00 55.91 80.70 3 0 23.22 -999 ? CL CL B 383 >PRO.B 185 -0.79 53.75 85.81 -1.92 54.15 83.93 -1.36 53.95 84.87 3 0 22.30 -999 ? CL CL B 383 >VAL.B 186 -5.90 55.30 83.11 -6.95 54.68 81.26 -6.43 54.99 82.19 3 0 20.38 -999 ? CL CL B 383 >ALA.B 187 -7.67 55.64 86.48 -8.99 54.85 86.41 -8.33 55.24 86.45 2 0 21.57 -999 ? CL CL B 383 >THR^B 188 -6.82 55.65 90.16 -5.30 56.81 91.19 -6.06 56.23 90.68 2 0 20.79 -999 ? CL CL A 384 >LEU^B 189 -9.65 52.45 92.04 -11.22 52.08 90.55 -10.43 52.26 91.29 3 0 20.22 -999 ? CL CL A 384 >CSS^B 190 -9.12 54.15 96.27 -9.88 56.87 96.71 -9.50 55.51 96.49 2 0 15.08 -999 ? CL CL A 384 >TRP^B 191 -10.49 50.73 102.31 -13.97 49.16 101.58 -12.23 49.94 101.94 3 0 18.38 -999 ? CL CL A 384 >SER.B 192 -11.80 54.65 102.27 -11.20 56.97 103.08 -11.50 55.81 102.68 2 0 13.26 -999 ? CL CL A 384 >ARG.B 193 -14.12 50.83 106.82 -12.70 50.89 109.57 -13.41 50.86 108.20 2 0 19.02 -999 ? CL CL A 384 >THR.B 194 -14.07 57.99 105.37 -12.38 58.46 106.64 -13.22 58.22 106.01 2 0 12.32 -999 ? CL CL A 384 >ASP.B 195 -11.82 59.91 101.57 -11.61 61.10 99.82 -11.72 60.50 100.70 2 0 10.47 -999 ? CL CL A 384 >SER.B 196 -16.29 59.80 99.85 -17.47 61.93 100.11 -16.88 60.87 99.98 2 0 5.60 -999 ? CL CL A 384 >ARG.B 197 -11.56 63.68 96.52 -11.06 66.80 96.90 -11.31 65.24 96.71 2 0 10.56 -999 ? CL CL A 384 >CSS.B 198 -13.35 56.84 96.92 -10.98 56.77 98.48 -12.16 56.81 97.70 2 0 13.88 -999 ? CL CL A 384 >ASN.B 199 -14.23 54.82 92.98 -12.33 56.04 93.07 -13.28 55.43 93.02 2 0 15.74 -999 ? CL CL A 384 >ILE^B 200 -12.94 50.54 95.99 -11.74 49.85 95.90 -12.34 50.20 95.95 3 0 19.01 -999 ? CL CL A 384 >GLU^B 201 -19.06 50.53 95.26 -20.94 50.61 94.28 -20.00 50.57 94.77 2 0 17.46 -999 ? CL CL A 384 >ARG^B 202 -17.65 42.54 97.41 -16.79 41.14 100.03 -17.22 41.84 98.72 2 0 25.52 -999 ? CL CL B 383 >MET^B 203 -12.45 44.45 97.34 -8.65 46.05 98.12 -10.55 45.25 97.73 2 0 23.78 -999 ? CL CL A 384 >ASP^B 204 -12.38 39.84 96.49 -14.33 39.98 97.22 -13.35 39.91 96.86 2 0 22.18 -999 ? CL CL B 383 >ILE^B 205 -6.81 40.48 98.20 -5.75 41.47 98.33 -6.28 40.97 98.26 3 0 23.76 -999 ? CL CL B 383 >GLU^B 206 -9.17 35.76 95.82 -10.61 34.74 94.62 -9.89 35.25 95.22 2 0 19.18 -999 ? CL CL B 383 >TRP^B 207 -1.19 37.06 97.92 -3.78 38.84 100.32 -2.48 37.95 99.12 3 0 25.29 -999 ? CL CL B 383 >ASP.B 208 -4.03 30.56 94.79 -4.11 28.51 94.21 -4.07 29.54 94.50 2 0 21.56 -999 ? CL CL B 383 >THR.B 209 0.05 28.65 96.08 0.38 28.29 98.17 0.21 28.47 97.12 2 0 26.81 -999 ? CL CL B 383 >ASP.B 210 -2.53 25.11 93.69 -2.62 22.87 93.62 -2.58 23.99 93.66 2 0 22.05 -999 ? CL CL B 384 >ASN.B 211 0.47 26.95 89.73 -0.82 25.48 88.80 -0.18 26.22 89.26 2 0 18.42 -999 ? CL CL B 384 >ARG.B 212 3.61 30.30 95.57 4.45 30.88 98.48 4.03 30.59 97.03 2 0 28.47 -999 ? CL CL B 383 >PHE.B 213 5.57 24.21 90.55 3.01 23.56 89.66 4.29 23.89 90.10 3 0 22.76 -999 ? CL CL B 384 >SER.B 214 10.35 24.86 94.00 10.52 22.52 94.66 10.43 23.69 94.33 2 0 30.49 -999 ? CL CL B 384 >GLU^B 215 14.09 22.76 92.11 15.77 21.48 91.87 14.93 22.12 91.99 2 0 32.93 -999 ? CL CL B 384 >VAL^B 216 10.52 23.04 87.34 8.64 24.08 86.89 9.58 23.56 87.12 3 0 24.94 -999 ? CL CL B 384 >THR^B 217 12.24 20.91 84.68 13.60 19.27 85.00 12.92 20.09 84.84 2 0 28.18 -999 ? CL CL B 384 >PHE^B 218 10.21 24.07 81.75 8.86 25.75 83.54 9.54 24.91 82.65 3 0 22.66 -999 ? CL CL B 384 >LEU^B 219 11.33 17.68 78.90 12.48 17.16 80.70 11.90 17.42 79.80 3 0 25.52 -999 ? CL CL B 384 >LEU.B 234 15.44 20.15 73.82 15.64 20.53 71.63 15.54 20.34 72.73 3 0 27.41 -999 ? CL CL B 384 >LYS.B 235 16.30 20.77 78.71 18.07 18.48 84.31 17.18 19.63 81.51 2 0 32.14 -999 ? CL CL B 384 >TRP^B 236 17.32 26.93 81.60 14.23 28.83 83.16 15.77 27.88 82.38 3 0 28.40 -999 ? CL CL B 384 >VAL^B 237 15.65 23.75 84.82 16.23 22.35 86.43 15.94 23.05 85.62 3 0 29.86 -999 ? CL CL B 384 >TYR^B 238 12.27 28.31 87.43 11.42 30.17 89.32 11.85 29.24 88.38 3 0 27.53 -999 ? CL CL B 384 >LYS^B 239 14.68 26.82 90.55 20.12 26.10 92.90 17.40 26.46 91.73 2 0 36.78 -999 ? CL CL B 384 >ASP.B 240 11.35 28.88 93.27 10.37 30.59 94.07 10.86 29.74 93.67 2 0 29.22 -999 ? CL CL B 383 >PRO.B 241 15.42 32.38 94.05 14.77 30.40 95.00 15.10 31.39 94.52 3 0 33.03 -999 ? CL CL B 383 >THR.B 242 12.86 31.45 98.38 12.27 33.54 98.54 12.57 32.50 98.46 2 0 33.18 -999 ? CL CL B 383 >MET.B 243 10.71 28.26 98.05 7.60 27.37 96.78 9.16 27.81 97.41 2 0 29.86 -999 ? CL CL B 384 >THR.B 244 11.74 26.22 101.11 11.25 27.41 102.85 11.50 26.81 101.98 2 0 36.65 -999 ? CL CL B 383 >LEU.B 245 7.68 23.61 100.52 6.42 24.38 102.12 7.05 24.00 101.32 3 0 33.26 -999 ? CL CL B 384 >HIS.B 246 10.60 18.26 97.26 11.24 17.08 95.63 10.92 17.67 96.45 3 0 32.95 -999 ? CL CL B 384 >ARG.B 247 4.27 22.84 96.19 1.85 22.99 94.25 3.06 22.91 95.22 2 0 24.65 -999 ? CL CL B 384 >PRO^B 248 9.26 17.54 92.85 8.87 19.72 92.50 9.06 18.63 92.68 3 0 28.87 -999 ? CL CL B 384 >LYS^B 249 7.49 19.68 88.46 2.17 20.34 86.44 4.83 20.01 87.45 2 0 19.48 -999 ? CL CL B 384 >THR^B 250 8.39 18.49 84.99 9.57 16.79 84.51 8.98 17.64 84.75 2 0 25.32 -999 ? CL CL B 384 >VAL^B 251 6.84 19.80 81.78 5.62 21.68 81.92 6.23 20.74 81.85 3 0 20.07 -999 ? CL CL B 384 >VAL^B 252 6.87 18.62 78.16 6.62 16.54 77.35 6.75 17.58 77.75 3 0 20.39 -999 ? CL CL B 384 >VAL.B 253 6.90 21.85 76.05 8.00 23.80 76.25 7.45 22.82 76.15 3 0 19.14 -999 ? CL CL B 384 >ASP.B 257 12.38 23.16 66.89 10.36 22.88 66.20 11.37 23.02 66.55 2 0 23.04 -999 ? CL CL B 384 >ASN.B 258 15.59 26.49 68.84 17.44 27.50 69.35 16.52 26.99 69.10 2 0 28.97 -999 ? CL CL B 384 >LEU~B 259 18.04 25.37 73.54 18.64 24.92 75.58 18.34 25.14 74.56 3 0 29.57 -999 ? CL CL B 384 >ALA~B 260 15.92 29.33 72.54 16.37 30.18 71.35 16.14 29.76 71.94 2 0 27.92 -999 ? CL CL B 384 >ALA~B 261 12.35 28.11 71.85 11.96 27.24 70.64 12.16 27.68 71.25 2 0 23.36 -999 ? CL CL B 384 >LEU~B 262 13.49 25.19 75.64 13.17 23.49 76.98 13.33 24.34 76.31 3 0 24.75 -999 ? CL CL B 384 >GLN~B 263 15.41 29.16 79.21 17.29 30.13 79.64 16.35 29.65 79.42 2 0 29.36 -999 ? CL CL B 384 >LYS~B 264 11.01 31.36 75.69 9.79 34.42 71.26 10.40 32.89 73.47 2 0 21.76 -999 ? CL CL B 383 >GLN~B 265 7.44 28.20 73.85 7.44 26.54 72.51 7.44 27.37 73.18 2 0 18.67 -999 ? CL CL B 384 >ALA~B 266 9.15 27.93 79.67 10.39 27.24 80.00 9.77 27.58 79.84 2 0 22.53 -999 ? CL CL B 384 >LYS~B 267 9.46 31.45 81.02 15.36 33.08 81.01 12.41 32.27 81.01 2 0 27.57 -999 ? CL CL B 383 >LYS~B 268 5.99 32.14 79.72 1.11 32.64 77.72 3.55 32.39 78.72 2 0 13.29 -999 ? CL CL B 383 >GLN~B 269 4.24 26.64 82.24 2.13 26.75 81.88 3.19 26.69 82.06 2 0 15.69 -999 ? CL CL B 384 >LEU~B 270 7.84 30.73 84.95 9.38 29.37 85.70 8.61 30.05 85.33 3 0 23.21 -999 ? CL CL B 383 >ALA~B 271 4.76 33.88 84.20 5.07 34.78 82.98 4.92 34.33 83.59 2 0 18.20 -999 ? CL CL B 383 >ASP~B 272 0.88 31.47 82.51 1.09 32.47 80.67 0.99 31.97 81.59 2 0 14.11 -999 ? CL CL B 383 >TRP~B 273 1.07 27.51 86.17 4.21 25.26 85.33 2.64 26.39 85.75 3 0 18.41 -999 ? CL CL B 384 >ARG~B 274 5.51 36.33 89.03 7.35 38.65 89.98 6.43 37.49 89.51 2 0 23.83 -999 ? CL CL B 383 >LEU~B 275 -0.68 35.60 86.07 -0.26 37.33 84.87 -0.47 36.47 85.47 3 0 14.82 -999 ? CL CL B 383 >GLU~B 276 -2.79 30.63 87.01 -2.36 28.59 86.68 -2.58 29.61 86.85 2 0 15.94 -999 ? CL CL B 384 >GLY~B 277 -1.21 33.00 92.27 -1.59 33.59 91.90 -1.40 33.29 92.09 1 0 19.92 -999 ? CL CL B 383 >PHE^B 278 -2.03 38.78 93.59 -2.83 41.32 94.43 -2.43 40.05 94.01 3 0 20.89 -999 ? CL CL B 383 >THR^B 279 -5.97 38.16 91.98 -7.29 37.14 90.58 -6.63 37.65 91.28 2 0 15.64 -999 ? CL CL B 383 >LEU^B 280 -6.39 42.76 93.04 -6.62 44.50 94.24 -6.51 43.63 93.64 3 0 20.12 -999 ? CL CL B 383 >THR^B 281 -11.01 41.80 92.41 -12.17 40.05 91.86 -11.59 40.93 92.14 2 0 16.75 -999 ? CL CL B 383 >ILE^B 282 -11.55 46.51 92.54 -10.76 47.61 92.90 -11.15 47.06 92.72 3 0 20.23 -999 ? CL CL B 383 >THR^B 283 -16.17 46.19 92.40 -17.74 44.83 92.78 -16.95 45.51 92.59 2 0 20.21 -999 ? CL CL B 383 >VAL^B 284 -16.90 49.82 91.49 -15.22 50.28 90.15 -16.06 50.05 90.82 3 0 20.13 -999 ? CL CL A 384 >GLY^B 285 -20.19 51.54 90.83 -19.46 51.66 90.42 -19.82 51.60 90.62 1 0 18.43 -999 ? CL CL A 384 >GLY.B 286 -20.98 52.54 87.27 -20.62 51.84 87.46 -20.80 52.19 87.36 1 0 16.50 -999 ? CL CL B 382 >HIS.B 287 -21.22 50.04 83.35 -22.70 48.63 83.80 -21.96 49.33 83.57 3 0 13.85 -999 ? CL CL B 382 >LYS.B 288 -16.76 54.22 83.25 -20.62 56.75 78.99 -18.69 55.49 81.12 2 0 8.84 -999 ? CL CL B 382 >THR.B 289 -13.61 55.64 84.71 -12.04 55.51 83.26 -12.82 55.58 83.99 2 0 17.67 -999 ? CL CL B 382 >ARG.B 290 -13.01 59.15 90.41 -14.60 61.38 91.89 -13.81 60.26 91.15 2 0 12.49 -999 ? CL CL A 384 >ASP.B 291 -11.26 60.51 82.59 -9.94 61.37 84.03 -10.60 60.94 83.31 2 0 20.64 -999 ? CL CL B 382 >GLY.B 292 -15.38 58.60 80.90 -14.73 58.21 81.00 -15.05 58.41 80.95 1 0 13.97 -999 ? CL CL B 382 >VAL.B 293 -13.48 55.53 79.59 -11.40 55.44 78.91 -12.44 55.49 79.25 3 0 14.98 -999 ? CL CL B 382 >LEU.B 294 -16.21 51.60 78.52 -18.22 51.84 77.89 -17.21 51.72 78.21 3 0 11.10 -999 ? CL CL B 382 >TRP.B 295 -15.23 50.39 84.67 -11.89 51.72 86.21 -13.56 51.06 85.44 3 0 17.83 -999 ? CL CL B 383 >GLN.B 296 -11.66 46.90 76.64 -11.16 47.77 74.74 -11.41 47.34 75.69 2 0 11.41 -999 ? CL CL B 383 >PRO.B 297 -10.95 42.88 79.53 -9.83 44.84 79.61 -10.39 43.86 79.57 3 0 8.56 -999 ? CL CL B 383 >GLY.B 298 -5.74 45.82 78.88 -6.06 46.14 79.52 -5.90 45.98 79.20 1 0 11.52 -999 ? CL CL B 383 >LEU.B 299 -7.09 49.81 81.40 -8.48 50.80 80.04 -7.79 50.30 80.72 3 0 15.29 -999 ? CL CL B 383 >ARG^B 300 0.10 48.73 83.03 1.88 51.20 83.58 0.99 49.96 83.31 2 0 21.49 -999 ? CL CL B 383 >VAL^B 301 -5.12 50.90 87.14 -7.24 50.27 87.18 -6.18 50.58 87.16 3 0 19.09 -999 ? CL CL B 383 >HIS^B 302 -2.27 54.46 91.30 -1.20 55.23 92.93 -1.74 54.85 92.12 3 0 23.99 -999 ? CL CL A 384 >VAL^B 303 -4.97 51.20 93.38 -6.21 49.34 93.42 -5.59 50.27 93.40 3 0 23.37 -999 ? CL CL B 383 >ILE^B 304 -4.54 54.46 96.92 -3.89 55.72 96.96 -4.21 55.09 96.94 3 0 20.34 -999 ? CL CL A 384 >ASP^B 305 -6.28 49.81 99.79 -7.51 49.10 101.38 -6.89 49.45 100.58 2 0 21.59 -999 ? CL CL A 384 >ASP.B 306 -4.64 54.84 103.01 -3.71 56.24 101.58 -4.17 55.54 102.30 2 0 19.57 -999 ? CL CL A 384 >GLU.B 307 -8.15 49.66 106.11 -10.31 49.68 106.12 -9.23 49.67 106.11 2 0 20.03 -999 ? CL CL A 384 >HIS.B 308 -5.09 45.35 102.63 -4.80 43.27 102.76 -4.95 44.31 102.70 3 0 26.99 -999 ? CL CL A 384 >GLY.B 309 -1.34 49.50 102.80 -1.84 49.15 102.26 -1.59 49.32 102.53 1 0 25.52 -999 ? CL CL A 384 >ILE^B 310 -2.84 48.26 98.36 -3.42 47.15 97.74 -3.13 47.70 98.05 3 0 25.74 -999 ? CL CL A 384 >ASP^B 311 0.41 52.81 97.17 0.37 54.52 95.85 0.39 53.67 96.51 2 0 24.66 -999 ? CL CL A 384 >ALA^B 312 0.48 49.99 93.21 0.84 48.52 93.53 0.66 49.26 93.37 2 0 24.95 -999 ? CL CL B 383 >VAL^B 313 -0.36 49.66 89.54 0.26 50.92 87.93 -0.05 50.29 88.73 3 0 22.30 -999 ? CL CL B 383 >PHE^B 314 -2.91 45.98 90.75 -2.08 45.99 93.41 -2.49 45.98 92.08 3 0 21.13 -999 ? CL CL B 383 >PHE^B 315 -2.29 44.04 82.93 -2.92 43.47 80.26 -2.60 43.75 81.59 3 0 13.01 -999 ? CL CL B 383 >LEU^B 316 -7.83 45.76 83.74 -9.90 45.84 84.36 -8.86 45.80 84.05 3 0 12.95 -999 ? CL CL B 383 >MET^B 317 -7.17 41.06 82.82 -4.62 38.66 81.83 -5.89 39.86 82.33 2 0 9.57 -999 ? CL CL B 383 >GLY^B 318 -10.95 40.65 83.09 -10.71 41.37 83.45 -10.83 41.01 83.27 1 0 8.69 -999 ? CL CL B 383 >ARG^B 319 -15.74 45.22 81.80 -15.96 44.19 78.93 -15.85 44.71 80.36 2 0 9.63 -999 ? CL CL B 383 >ARG^B 320 -19.20 39.56 86.12 -20.64 37.04 85.01 -19.92 38.30 85.57 2 0 13.22 -999 ? CL CL B 383 >PHE^B 321 -19.61 46.45 81.53 -17.64 47.96 80.19 -18.63 47.20 80.86 3 0 14.03 -999 ? CL CL B 383 >MET^B 322 -23.16 44.28 85.75 -21.07 41.86 88.61 -22.11 43.07 87.18 2 0 17.13 -999 ? CL CL B 383 >LEU^B 323 -27.55 46.14 85.26 -29.30 47.54 85.46 -28.42 46.84 85.36 3 0 16.52 -999 ? CL CL B 382 >SER^B 324 -28.77 44.19 89.22 -27.33 44.36 91.21 -28.05 44.28 90.21 2 0 22.60 -999 ? CL CL B 382 >ARG.B 325 -34.83 46.46 90.24 -34.50 47.08 87.15 -34.66 46.77 88.69 2 0 19.88 -999 ? CL CL B 382 >MET.B 326 -30.20 45.27 94.26 -29.40 43.06 97.58 -29.80 44.16 95.92 2 0 25.34 -999 ? CL CL A 384 >ASP.B 327 -25.62 46.25 93.54 -25.42 45.53 95.50 -25.52 45.89 94.52 2 0 22.34 -999 ? CL CL A 384 >GLY^B 328 -27.69 48.95 90.13 -27.15 48.30 90.26 -27.42 48.62 90.20 1 0 19.77 -999 ? CL CL B 382 >THR^B 329 -24.83 49.33 87.66 -25.34 51.01 86.38 -25.09 50.17 87.02 2 0 15.42 -999 ? CL CL B 382 >GLN^B 330 -22.26 47.78 91.02 -22.35 46.33 92.55 -22.30 47.06 91.78 2 0 22.15 -999 ? CL CL A 384 >THR^B 331 -18.10 46.86 87.19 -17.24 47.80 85.43 -17.67 47.33 86.31 2 0 16.17 -999 ? CL CL B 383 >GLU^B 332 -15.56 41.56 89.17 -16.27 39.59 89.11 -15.92 40.57 89.14 2 0 14.76 -999 ? CL CL B 383 >LEU^B 333 -11.89 45.92 88.06 -12.58 47.85 87.16 -12.23 46.88 87.61 3 0 16.02 -999 ? CL CL B 383 >ARG^B 334 -12.53 38.39 87.32 -14.06 38.36 84.61 -13.29 38.38 85.96 2 0 9.65 -999 ? CL CL B 383 >LEU^B 335 -6.76 44.23 89.16 -7.51 46.19 88.66 -7.14 45.21 88.91 3 0 16.60 -999 ? CL CL B 383 >LYS^B 336 -3.40 41.24 88.18 -4.83 35.96 88.60 -4.12 38.60 88.39 2 0 14.66 -999 ? CL CL B 383 >GLU^B 337 2.60 41.45 89.80 4.03 40.00 90.41 3.32 40.72 90.10 2 0 21.78 -999 ? CL CL B 383 >ASP.B 338 1.84 46.00 86.98 1.86 47.25 85.31 1.85 46.62 86.14 2 0 19.77 -999 ? CL CL B 383 >GLY.B 339 4.18 43.63 83.95 3.70 43.10 84.20 3.94 43.36 84.08 1 0 19.18 -999 ? CL CL B 383 >ILE.B 340 3.32 39.07 85.46 4.54 38.69 86.12 3.93 38.88 85.79 3 0 18.67 -999 ? CL CL B 383 >TRP.B 341 -0.76 36.74 80.33 -2.75 38.82 77.66 -1.76 37.78 78.99 3 0 10.39 -999 ? CL CL B 383 >THR.B 342 2.93 38.40 77.77 1.00 38.51 76.85 1.96 38.46 77.31 2 0 12.70 -999 ? CL CL B 383 >PRO.B 343 6.91 38.35 79.43 5.60 39.82 78.39 6.25 39.09 78.91 3 0 18.23 -999 ? CL CL B 383 >ASP.B 344 7.59 38.09 74.22 8.59 36.72 75.50 8.09 37.40 74.86 2 0 20.04 -999 ? CL CL B 383 >ALA.B 345 4.64 41.37 73.03 3.24 41.54 73.45 3.94 41.46 73.24 2 0 15.71 -999 ? CL CL B 383 >TYR.B 346 3.94 45.97 72.94 1.71 46.24 71.30 2.82 46.10 72.12 3 0 17.60 -999 ? CL CL B 383 >PRO.B 347 10.13 43.10 73.99 8.89 44.54 75.22 9.51 43.82 74.60 3 0 22.26 -999 ? CL CL B 383